Risedronate (CED0003539)

Record Information

Version

1.0

Creation Date

2009-07-15 20:44:10 UTC

Update Date

2026-05-14 16:51:37 UTC

SynCED ID

CED0003539

Secondary Accession Numbers

CHEM002113
T3D2668

Identification

Common Name

Risedronate

Class

Small Molecule

Description

Risedronate belongs to the bisphosphonates, a subclass of organic phosphonic acids and derivatives within the organic compounds. It is an exogenous solid with the formula C7H11NO7P2 and an average molecular weight of 283.11 g/mol. This biological drug (PMC10692760 , PMC8713161 ) is administered via the oral exposure route and is used in healthcare, pharmaceuticals, and veterinary products for the treatment of bone diseases. The compound targets geranylgeranyl pyrophosphate synthase (GGPS1) and farnesyl pyrophosphate (FPP) synthase. The action of risedronate on bone tissue is based partly on its affinity for hydroxyapatite, which is part of the mineral matrix of bone. As a nitrogen-containing bisphosphonate, risedronate acts as an analogue of isoprenoid diphosphate lipids to inhibit FPP synthase, an enzyme in the mevalonate pathway. This inhibition in osteoclasts prevents the biosynthesis of isoprenoid lipids, thereby inhibiting osteoclast activity and reducing bone resorption and turnover. Risedronate is used as a treatment for osteoporosis (PMC10547673 , PMC10889292 ), hypercalcemia (PMC10547673 ), multiple myeloma (PMC10547673 ), and glucocorticoid-induced osteoporosis (PMC5114204 , PMC6924235 ). It has a therapeutic effect on breast cancer (PMC6607035 ) and glucocorticoid-induced osteoporosis (PMC2686344 ). Associated health effects include nausea (PMC2879572 ), headache (PMC6924235 ), and an increase in fever (PMC2971711 ), while it is associated with a decrease in necrosis (PMC10871045 ) and esophageal cancer (PMC10871045 ).

Contaminant Type

Antihypocalcemic Agent
Antiresorptive
Bisphosphonate
Bone Density Conservation Agent
Calcium Channel Blocker
Drug
Metabolite
Organic Compound
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Ridron	Kegg
Risedronic acid	Generator
NE-58095	HMDB
Actonel	HMDB
2-(3-Pyridinyl)-1-hydroxyethylidene-bisphosphonate	HMDB
Risedronate sodium	HMDB
1-Hydroxy-2-(3-pyridyl)ethylidene diphosphonate	HMDB
Atelvia	HMDB
Sodium, bisphosphate risedronate	HMDB
Sodium, risedronate	HMDB
Bisphosphate risedronate sodium	HMDB
2-(3-Pyridinyl)-1-hydroxyethylidenebisphosphonate	HMDB
Acid, risedronic	HMDB
Risedronate sodium, bisphosphate	HMDB
Risedronic acid, monosodium salt	HMDB
Risedronate sodium, bisphosphonate	HMDB
Bisphosphonate risedronate sodium	HMDB
Sodium, bisphosphonate risedronate	HMDB

Chemical Formula

C₇H₁₁NO₇P₂

Average Molecular Mass

283.112 g/mol

Monoisotopic Mass

283.001 g/mol

CAS Registry Number

105462-24-6

IUPAC Name

[1-hydroxy-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid

Traditional Name

risedronate

SMILES

OC(CC1=CN=CC=C1)(P(O)(O)=O)P(O)(O)=O

InChI Identifier

InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)

InChI Key

IIDJRNMFWXDHID-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic phosphonic acids and derivatives

Sub Class

Bisphosphonates

Direct Parent

Bisphosphonates

Alternative Parents

Substituents

Bisphosphonate
Pyridine
Heteroaromatic compound
Organophosphonic acid
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organophosphorus compound
Organooxygen compound
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

pyridines (CHEBI:8869 )

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Cytoplasm
Membrane

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

drug (PMC10692760 , PMC8713161 )?
antipsychotic agent (PMC6277925 , PMC6277925 )?
bone density conservation agent (PMC6452576 )?
1,1-bis(phosphonic acid) (PMC2686344 , PMC7305378 )?

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Solid

Appearance

White powder.

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	1.04e+01 g/L

Predicted Properties

Property	Value	Source
Water Solubility	10.4 g/L	ALOGPS
logP	-0.75	ALOGPS
logP	-3.3	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	0.68	ChemAxon
pKa (Strongest Basic)	4.91	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	148.18 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	57.12 m³·mol⁻¹	ChemAxon
Polarizability	21.91 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-001l-9030000000-834cccb13596d4a6e4c2	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-00ec-9131000000-85d766b80d3eecd58217	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0f89-0190000000-fd3ef9304911f5ba797f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0f89-7980000000-2508dc22ba77fa4bcee8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-9240000000-2f245ccf75b7681832ce	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0f89-1090000000-882848c0e9a8de518fff	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0w30-3290000000-a1775bd54b8db706bd1f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-003r-9000000000-8ca3758d4566ac31ba50	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-1190000000-fce2959eb809fe2060d8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0190000000-b9756aabf61eee5b04ab	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9100000000-145687ddc19a2ed9ccbc	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0090000000-53f1652a378d9f5559bb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01t9-9020000000-e3ffbff7b9593c322cfe	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03fr-9000000000-e773369d1f76d237ca38	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2821.0 Log mg/kg [1600:5000]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

The action of risedronate on bone tissue is based partly on its affinity for hydroxyapatite, which is part of the mineral matrix of bone. Risedronate also targets farnesyl pyrophosphate (FPP) synthase. Nitrogen-containing bisphosphonates (such as pamidronate, alendronate, risedronate, ibandronate and zoledronate) appear to act as analogues of isoprenoid diphosphate lipids, thereby inhibiting FPP synthase, an enzyme in the mevalonate pathway. Inhibition of this enzyme in osteoclasts prevents the biosynthesis of isoprenoid lipids (FPP and GGPP) that are essential for the post-translational farnesylation and geranylgeranylation of small GTPase signalling proteins. This activity inhibits osteoclast activity and reduces bone resorption and turnover. In postmenopausal women, it reduces the elevated rate of bone turnover, leading to, on average, a net gain in bone mass.

Carcinogenicity (IARC Classification)

No indication of carcinogenicity to humans (not listed by IARC).

Minimum Risk Level

Not Available

Symptoms

Side effects include abdominal pain, anxiety, back pain, belching, bladder irritation, bone disorders and pain, bronchitis, bursitis, cataracts, chest pain, colitis, constipation, depression, diarrhea, difficulty breathing, dizziness, dry eyes, eye infection, flu-like symptoms, gas, headache, high blood pressure, infection, insomnia, itching, joint disorders and pain, leg cramps, muscle pain, muscle weakness, nausea, neck pain, nerve pain, pain, pneumonia, rash, ringing in ears, sinus problems, sore throat, stomach bleeding, stuffy or runny nose, swelling, tendon problems, tumor, ulcers, urinary tract infection, vertigo, vision problems, and weakness.

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
breast cancer	Has Therapeutic Effect On	Not Available	A breast cancer that has material basis in abnormally proliferating cells derives from epithelial cells. (DO)	PMC6607035 , PMC8080519
breast cancer	Not Available	Not Available	A breast cancer that has material basis in abnormally proliferating cells derives from epithelial cells. (DO)	PMC11570850
osteoporosis	Not Available	Not Available	A disorder characterized by reduced bone mass, with a decrease in cortical thickness and in the number and size of the trabeculae of cancellous bone (but normal chemical composition), resulting in increased fracture incidence. (NCI CTCAE)	PMC10547673 , PMC10889292
multiple myeloma	Not Available	Not Available	A myeloid neoplasm that is located in the plasma cells in bone marrow. (DO)	PMC10547673
fever	Associated With?	increase	A disorder characterized by an abnormally high body temperature.	PMC2971711
pain	Has Therapeutic Effect On	Not Available	A disorder characterized by the sensation of marked discomfort, distress or agony. (NCI CTCAE)	PMC11382656
headache	Associated With?	Not Available	A disorder characterized by a sensation of marked discomfort in various parts of the head, not confined to the area of distribution of any nerve. (NCI CTCAE)	PMC6924235
Prostate cancer	Has Therapeutic Effect On	Not Available	A male reproductive organ cancer that is located in the prostate. (DO)	PMC6406412
necrosis	Associated With?	decrease	A disorder characterized as a form of cell injury which results in the premature death of cells in living tissue by autolysis.	PMC10871045
hepatitis	Associated With?	Not Available	A disorder characterized by an inflammation of the liver. (NCI CTCAE)	PMC3273686
hypercalcemia	Not Available	Not Available	A disorder characterized by laboratory test results that indicate an elevation in the concentration of calcium (corrected for albumin) in blood. (NCI CTCAE)	PMC10547673
nausea	Associated With?	Not Available	A disorder characterized by a queasy sensation and/or the urge to vomit. (NCI CTCAE)	PMC2879572
osteoarthritis	Not Available	Not Available	An arthritis that has material basis in worn out cartilage located in joint. (DO)	PMC6123982
glucocorticoid-induced osteoporosis	Has Therapeutic Effect On	Not Available	Not Available	PMC2686344
glucocorticoid-induced osteoporosis	Not Available	Not Available	Not Available	PMC5114204 , PMC6924235
hypophosphatemia	Associated With?	Not Available	A disorder characterized by laboratory test results that indicate a low concentration of phosphates in the blood. (NCI CTCAE)	PMC7716604
esophageal cancer	Associated With?	decrease	Esophageal cancer is cancer that occurs in the esophagus — a long, hollow tube that runs from the throat to the stomach. Esophageal cancer usually begins in the cells that line the inside of the esophagus. Esophageal cancer is the sixth most common cause of cancer deaths worldwide. Incidence rates vary within different geographic locations. In some regions, higher rates of esophageal cancer may be attributed to tobacco and alcohol use or particular nutritional habits and obesity. Signs and symptoms of esophageal cancer are weight loss and painful or difficult swallowing.	PMC10871045
osteonecrosis	Not Available	Not Available	A disorder characterized by necrotic changes in the bone tissue due to interruption of blood supply. Most often affecting the epiphysis of the long bones, the necrotic changes result in the collapse and the destruction of the bone structure. (NCI CTCAE)	PMC6123982
osteosarcoma	Has Therapeutic Effect On	Not Available	Not Available	PMC6406412 , PMC2729740
esophagitis	Associated With?	Not Available	Not Available	PMC3108695
Osteogenesis Imperfecta	Has Therapeutic Effect On	Not Available	Osteogenesis imperfecta (OI), also known as brittle bone disease, is a group of genetic disorders that mainly affect the bones. It results in bones that break easily. The severity may be mild to severe. Other symptoms may include a blue tinge to the whites of the eye, short height, loose joints, hearing loss, breathing problems and problems with the teeth. Complications may include cervical artery dissection and aortic dissection. There are at least nine different types of OI. Type I is the most common. Symptoms vary from person to person. Osteogenesis imperfecta is a genetic disorder commonly caused by mutations in the COL1A1 and COL1A2 genes which are responsible for the production of collagen type 1. Approximately 90% of people with OI are heterozygous for mutations in both the COL1A1 and COL1A2 genes. In the United States, the incidence of osteogenesis imperfecta is estimated to be one per 20,000 live births. An estimated 20,000 to 50,000 people are affected by OI in the United States. The most common types are I - IV. (Wikipedia)	PMC4964748
osteonecrosis of the jaw	Associated With?	Not Available	Not Available	PMC9627332 , PMC4728763
Growth delay	Has Therapeutic Effect On	Not Available	Not Available	PMC5018610
metastatic malignant neoplasm	Not Available	Not Available	Not Available	PMC10547673
bone fracture	Not Available	Not Available	Not Available	PMC4094788 , PMC4632141
bone fracture	Has Therapeutic Effect On	Not Available	Not Available	PMC7321771 , PMC5004254
Cell Survival	Associated With?	increase	Not Available	PMC2945066
cancer-related condition	Not Available	Not Available	Not Available	PMC11012270
Neoplasm Metastasis	Has Therapeutic Effect On	Not Available	Not Available	PMC11462496
dyspepsia	Associated With?	Not Available	Not Available	PMC2879572
Osteopenia	Not Available	Not Available	Not Available	PMC11374645
Hypocalcemia	Associated With?	Not Available	Not Available	PMC7716604
cryptosporidiosis	Has Therapeutic Effect On	Not Available	Not Available	PMC12355920
postmenopausal osteoporosis	Not Available	Not Available	Not Available	PMC3491244 , PMC2971711
Osteoporotic Fractures	Not Available	Not Available	Not Available	PMC3897893 , PMC4564779
Myalgia	Associated With?	Not Available	Not Available	PMC9079914
Plaque, Atherosclerotic	Has Therapeutic Effect On	Not Available	Not Available	PMC5669782
hip fracture	Not Available	Not Available	Not Available	PMC4906542 , PMC8744486
hip fracture	Has Therapeutic Effect On	Not Available	Not Available	PMC2971711 , PMC3855695
hip fracture	Associated With?	increase	Not Available	PMC9189912
hip fracture	Associated With?	Not Available	Not Available	PMC9189912
hip fracture	Associated With?	decrease	Not Available	PMC4564779
Musculoskeletal Pain	Associated With?	Not Available	Not Available	PMC7716604
mammary Paget's disease	Not Available	Not Available	Not Available	PMC11142991
Alveolar Bone Loss	Has Therapeutic Effect On	Not Available	Not Available	PMC7595528
gingival disorder	Associated With?	Not Available	Not Available	PMC11374645
gingival disease	Associated With?	Not Available	Not Available	PMC11374645

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000070	Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.	Automotive & urban infrastructure	PubChem
CEDs000233	Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.	Personal care & cosmetics	PubChem
CEDs000367	Drugs for treatment of bone diseases?Drugs for the treatment of bone diseases, such as bisphosphonates and calcitonin, are synthetic chemicals designed to prevent bone loss and promote bone health.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000496	Fencing?Fencing materials, particularly those used in construction and landscaping, can be a source of synthetic chemical contamination due to the treatments and coatings applied for durability and weather resistance.	Building & Construction	PubChem
CEDs000497	Floors?Floors in built environments can be a significant source of synthetic chemical contamination due to the materials and finishes used in their construction.	Building & Construction	PubChem
CEDs000500	Stairs And Ramps?Stairs and ramps in construction are often treated with various synthetic chemicals to enhance durability, slip resistance, and weather resistance.	Building & Construction	PubChem
CEDs000503	Tents Or Canopies?Tents and canopies used in various applications can be a source of synthetic chemical contamination primarily due to the materials from which they are made.	Building & Construction	PubChem
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000507	Auxiliary Devices?Auxiliary devices, such as capacitors, transformers, and circuit breakers, are integral components in various electronic systems.	Electrical & Electronic Equipment	PubChem
CEDs000508	Coils?Coils are components used in various electrical and electronic applications, such as transformers, inductors, and motors.	Electrical & Electronic Equipment	PubChem
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000513	Cores Yokes Or Armatures?Cores, yokes, or armatures are components commonly found in electrical devices, used to facilitate the magnetic and electrical functions within motors, transformers, and generators.	Electrical & Electronic Equipment	PubChem
CEDs000514	Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.	Electrical & Electronic Equipment	PubChem
CEDs000515	Discharge Tubes With Liquid Pool Cathodes?Discharge tubes with liquid pool cathodes are devices that utilize a liquid metal as the cathode in gas discharge applications.	Electrical & Electronic Equipment	PubChem
CEDs000516	Electric Hearing Aids?Electric hearing aids are small electronic devices designed to amplify sound for individuals with hearing loss.	Electrical & Electronic Equipment	PubChem
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	Electrical & Electronic Equipment	PubChem
CEDs000518	Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000521	Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000527	Magnets?Magnets, commonly used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials used in their production.	Electrical & Electronic Equipment	PubChem
CEDs000529	Power Cables?Power cables are used to transmit electrical energy and are typically composed of conductive materials, insulation, and protective coatings.	Electrical & Electronic Equipment	PubChem
CEDs000531	Relays?Relays are electromechanical switches used to control circuits and manage electrical loads.	Electrical & Electronic Equipment	PubChem
CEDs000533	Sparking Plugs?Spark plugs are critical components in internal combustion engines, facilitating the ignition of fuel-air mixtures by generating a spark.	Electrical & Electronic Equipment	PubChem
CEDs000535	Superconducting Magnets And Superconducting Coils?Superconducting magnets and coils are utilized in various applications that require strong magnetic fields, such as magnetic resonance imaging (MRI) and particle accelerators.	Electrical & Electronic Equipment	PubChem
CEDs000536	Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines?Superconductive or hyperconductive conductors, including cables and transmission lines, are materials that exhibit zero electrical resistance under specific conditions, typically at low temperatures.	Electrical & Electronic Equipment	PubChem
CEDs000537	Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000552	Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.	Food, food processing & cookware	PubChem
CEDs000555	Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.	Household cleaning & consumer products	PubChem
CEDs000556	Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.	Household cleaning & consumer products	PubChem
CEDs000559	Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.	Household cleaning & consumer products	PubChem
CEDs000560	Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.	Household cleaning & consumer products	PubChem
CEDs000566	Tobacco Pipes?Tobacco pipes, often made from materials such as plastic, wood, or metal, can serve as sources of synthetic chemical contamination due to the residues left by tobacco products.	Household cleaning & consumer products	PubChem
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	PubChem
CEDs000578	Making Cigars?The process of making cigars involves several steps, including the cultivation of tobacco, fermentation, and the application of various additives to enhance flavor and preservation.	Industrial manufacturing & chemical processing	PubChem
CEDs000579	Manufacture Of Iron Or Steel?The manufacture of iron or steel involves various processes, including smelting, refining, and alloying, which can result in the release of synthetic chemicals and contaminants.	Industrial manufacturing & chemical processing	PubChem
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000581	Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.	Industrial manufacturing & chemical processing	PubChem
CEDs000583	Anchoring Equipment?Anchoring equipment, commonly used in marine applications, can be a source of synthetic chemical contamination due to the materials and coatings utilized in their manufacturing.	Marine, shipping & aquaculture	PubChem
CEDs000589	Life Buoys?Life buoys, commonly used in marine environments for safety and rescue operations, can be a source of synthetic chemical contamination due to the materials used in their production.	Marine, shipping & aquaculture	PubChem
CEDs000592	Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.	Marine, shipping & aquaculture	PubChem
CEDs000601	Lawn Mowers?Lawn mowers, particularly those powered by gasoline, can be a source of synthetic chemical contamination due to the combustion of fossil fuels and the use of engine oils.	Agriculture & land management	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000620	Card Games?Card games often utilize synthetic materials for playing cards and associated gaming equipment, which may contain various chemicals such as polyvinyl chloride (PVC), plastics, and dyes.	Recreation & sports surfaces	PubChem
CEDs000630	Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.	Recreation & sports surfaces	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000638	Decorating Textiles?Decorating textiles often involves the use of synthetic chemicals such as dyes, finishes, and coatings.	Textiles, leather & furnishings	PubChem
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	PubChem
CEDs000643	Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.	Textiles, leather & furnishings	PubChem
CEDs000650	Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.	Textiles, leather & furnishings	PubChem
CEDs000659	Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.	Textiles, leather & furnishings	PubChem
CEDs000662	Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.	Textiles, leather & furnishings	PubChem
CEDs000671	Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.	Aviation & Aerospace	PubChem
CEDs000677	Horse Reins?Horse reins, often made from synthetic materials such as nylon or polyester, can be a source of chemical contamination due to their production and degradation processes.	Agriculture & land management	PubChem
CEDs000684	Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.	Building & Construction	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	PubChem
CEDs000692	Silica Free Oxide Glass?Silica Free Oxide Glass is a type of glass that is produced using alternative materials to traditional silica-based formulations.	Building & Construction	PubChem
CEDs000693	Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000697	Submarines?Submarines, while essential for military and research purposes, can be a source of synthetic chemical contamination due to their use of various industrial chemicals.	Marine, shipping & aquaculture	PubChem
CEDs000699	Mining Or Quarrying?Mining and quarrying operations can lead to synthetic chemical contamination through the release of various pollutants associated with the extraction and processing of minerals.	Mining & metal processing	PubChem
CEDs000707	Books?Books can be a source of synthetic chemical contamination due to the use of various chemicals in their production and preservation processes.	Paper, pulp & fiber products	PubChem
CEDs000714	Embossing Machines?Embossing machines are industrial devices used to create raised patterns or designs on materials, including paper and fiber products.	Paper, pulp & fiber products	PubChem
CEDs000717	Fountain Pens?Fountain pens utilize a liquid ink that often contains synthetic chemicals, including dyes, pigments, and solvents, which can contribute to environmental contamination.	Paper, pulp & fiber products	PubChem
CEDs000720	Ink Reservoir Pens2?Ink reservoir pens are writing instruments that utilize a reservoir to store ink, which is often composed of synthetic dyes, solvents, and additives.	Paper, pulp & fiber products	PubChem
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	Paper, pulp & fiber products	PubChem
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem
CEDs01079	Tablet	Healthcare, pharmaceuticals & veterinary products	PMC9079914 , PMC3804538

Pathways

4 pathwaysPathway Source: PathBank

Risedronate Pathway

Risedronate Action Pathway

Risedronate Action Pathway (new)

Risedronate Drug Metabolism Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Farnesyl pyrophosphate synthase	P14324	Humans	Predicted (SEA)	Prediction Confidence Score 0.57 Applicability Domain 1.0 Statistical Significance 3.00e-05 Supporting Reference Compounds 22 E-value 0.233548
Click to view 3D structure	Farnesyl pyrophosphate synthase	Q0GKD7	Leishmania donovani	Predicted (SEA)	Prediction Confidence Score 0.538 Applicability Domain 1.0 Statistical Significance 4.00e-05 Supporting Reference Compounds 14 E-value 0.311397
Click to view 3D structure	Geranylgeranyl pyrophosphate synthase	O95749	Humans	Predicted (SEA)	Prediction Confidence Score 0.527 Applicability Domain 1.0 Statistical Significance 4.00e-05 Supporting Reference Compounds 15 E-value 0.311397
Click to view 3D structure	Butyrophilin subfamily 3 member A1	O00481	Humans	Predicted (SEA)	Prediction Confidence Score 0.499 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 3 E-value 0.0778492
Click to view 3D structure	Farnesyl pyrophosphate synthase	P14324	Humans	Known	Not Available
Click to view 3D structure	Farnesyl pyrophosphate synthase	Q4QBL1	Leishmania major	Predicted (SEA)	Prediction Confidence Score 0.417 Applicability Domain 1.0 Statistical Significance 3.00e-05 Supporting Reference Compounds 5 E-value 0.233548
Click to view 3D structure	Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)	P60472	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.392 Applicability Domain 0.392 Statistical Significance 1.00e-05 Supporting Reference Compounds 1 E-value 0.0778492
Click to view 3D structure	Geranylgeranyl pyrophosphate synthase BTS1	Q12051	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.389 Applicability Domain 0.5 Statistical Significance 3.00e-05 Supporting Reference Compounds 4 E-value 0.233548
Click to view 3D structure	Farnesyl diphosphate synthase	Q197X6	Toxoplasma gondii	Predicted (SEA)	Prediction Confidence Score 0.372 Applicability Domain 1.0 Statistical Significance 9.00e-05 Supporting Reference Compounds 4 E-value 0.700643
Click to view 3D structure	Farnesyl diphosphate synthase	Q8WS26	Trypanosoma cruzi	Predicted (SEA)	Prediction Confidence Score 0.359 Applicability Domain 1.0 Statistical Significance 6.00e-05 Supporting Reference Compounds 5 E-value 0.467095
Click to view 3D structure	Farnesyl diphosphate synthase	P22939	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.341 Applicability Domain 0.422 Statistical Significance 2.00e-05 Supporting Reference Compounds 4 E-value 0.155698
Click to view 3D structure	Hexokinase	Q8ST54	Trypanosoma cruzi	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.636 Statistical Significance 2.00e-04 Supporting Reference Compounds 7 E-value 1.55698
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.347 Statistical Significance 0.0087 Supporting Reference Compounds 127 E-value 67.651
Click to view 3D structure	Cytochrome P450 2A6	P11509	Humans	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.333 Statistical Significance 0.0019 Supporting Reference Compounds 68 E-value 14.5578
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.321 Statistical Significance 0.012 Supporting Reference Compounds 77 E-value 93.8083
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.318 Statistical Significance 0.228 Supporting Reference Compounds 1538 E-value 1774.96
Click to view 3D structure	Aquaporin-4	P55087	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.286 Low confidence Statistical Significance 0.0013 Supporting Reference Compounds 1 E-value 10.3539
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.305 Statistical Significance 0.1038 Supporting Reference Compounds 497 E-value 808.231
Click to view 3D structure	Cytochrome P450 11B1, mitochondrial	P15538	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.318 Statistical Significance 0.0052 Supporting Reference Compounds 66 E-value 40.4816
Click to view 3D structure	Cytochrome P450 11B2, mitochondrial	P19099	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.318 Statistical Significance 0.0054 Supporting Reference Compounds 62 E-value 41.805
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.3 Statistical Significance 0.0477 Supporting Reference Compounds 373 E-value 371.029
Click to view 3D structure	Nicotinamide phosphoribosyltransferase	P43490	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.305 Statistical Significance 0.0077 Supporting Reference Compounds 33 E-value 60.0218
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	Q05941	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.321 Statistical Significance 0.0035 Supporting Reference Compounds 55 E-value 27.5586
Click to view 3D structure	Thromboxane-A synthase	P24557	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.291 Low confidence Statistical Significance 0.0055 Supporting Reference Compounds 66 E-value 43.1285
Click to view 3D structure	Cytochrome P450 2E1	P05181	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.313 Statistical Significance 0.0013 Supporting Reference Compounds 31 E-value 10.1204
Click to view 3D structure	Cytochrome P450 2B6	P20813	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.313 Statistical Significance 0.0109 Supporting Reference Compounds 150 E-value 85.0892
Click to view 3D structure	Adenosine receptor A1	P30542	Humans	Known	Not Available
Click to view 3D structure	Geranylgeranyl pyrophosphate synthase	O95749	Humans	Known	Not Available
Click to view 3D structure	Farnesyl diphosphate synthase	P22939	Escherichia coli (strain K12)	Known	Not Available
Click to view 3D structure	Caspase-3	P42574	Humans	Known	Not Available
Click to view 3D structure	Farnesyl pyrophosphate synthase	P14324	Humans	Known	The action of risedronate on bone tissue is based partly on its affinity for hydroxyapatite, which is part of the mineral matrix of bone. Risedronate also targets farnesyl pyrophosphate (FPP) synthase. Nitrogen-containing bisphosphonates (such as pamidronate, alendronate, risedronate, ibandronate and zoledronate) appear to act as analogues of isoprenoid diphosphate lipids, thereby inhibiting FPP synthase, an enzyme in the mevalonate pathway. Inhibition of this enzyme in osteoclasts prevents the biosynthesis of isoprenoid lipids (FPP and GGPP) that are essential for the post-translational farnesylation and geranylgeranylation of small GTPase signalling proteins. This activity inhibits osteoclast activity and reduces bone resorption and turnover. In postmenopausal women, it reduces the elevated rate of bone turnover, leading to, on average, a net gain in bone mass.
Click to view 3D structure	Geranylgeranyl pyrophosphate synthase	O95749	Humans	Known	Not Available

Concentrations

Not Available

External Links

DrugBank ID

DB00884

HMDB ID

HMDB0015022

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Chemspider ID

ChEBI ID

PubChem Compound ID

Kegg Compound ID

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Srinivasa Rao V.N Divvela, Lenin Racha, Sivakumaran Meenakshisunderam, Ramesh Dandala, “Process for the preparation of risedronate sodium hemi-pentahydrate.” U.S. Patent US20070173484, issued July 26, 2007.

MSDS

Link

General References

Wishart DS, Knox C, Guo AC, Cheng D, Shrivastava S, Tzur D, Gautam B, Hassanali M: DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6. Epub 2007 Nov 29. [PubMed: 18048412]
Drugs.com - http://www.drugs.com/cons/Risedronate.html

Risedronate (CED0003539)

Structure for CHEM002113: Risedronate

Structure