Duvoglustat (CED0006496)

Record Information

Version

1.0

Creation Date

2026-03-31 17:51:18 UTC

Update Date

2026-04-13 22:12:42 UTC

SynCED ID

CED0006496

Secondary Accession Numbers

CHEM057231

Identification

Common Name

Duvoglustat

Class

Small Molecule

Description

Duvoglustat is an organic compound with the formula C6H13N1O4 and an average molecular weight of 163.17 g/mol. Duvoglustat belongs to the piperidines, a class of organoheterocyclic compounds within the organic compounds. The compound is found in or released from five recorded sources. These include household items such as key rings, and healthcare, pharmaceuticals, and veterinary products specifically antibiotics. It is also associated with drinking water and water supply, as well as food, food processing, and cookware, including the preparation of vinegar and the preparation of wine or sparkling wine. Recorded exposure routes for this substance include oral and inhalation. Duvoglustat interacts with nine recorded protein targets. It acts as an inhibitor of Beta-glucosidase A (bglA), Cyclomaltodextrin glucanotransferase (cgt), Mannosyl-oligosaccharide alpha-1,2-mannosidase (MSDC), and Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase (MAN1B1), in addition to five other proteins.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₁₃N₁O₄

Average Molecular Mass

163.173 g/mol

Monoisotopic Mass

163.084 g/mol

CAS Registry Number

19130-96-2;70956-02-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1

InChI Key

LXBIFEVIBLOUGU-JGWLITMVSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

antiviral agent (PMC13299887 )?
inhibitor (PMC8162432 )?
EC 3.2.1.20 (α-glucosidase) inhibitor (PMC3581086 )?

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0feb-7900000000-536465f5fd772045b134	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01ot-0900000000-1aa3b43d5d62c90ccec7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-002b-1900000000-6ef4261b9d4ed14a1746	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-056r-9500000000-2fa2710d2d9b3ef5535d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0900000000-38feb13cf90cc926e8b8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03ec-1900000000-037cddc0c0bea31e7736	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-006x-9100000000-906240cbc58537e93cbd	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
5115.0 Log mg/kg [2900:9100]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
cancer	Not Available	Not Available	Cancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.	PMC1399450
type 2 diabetes mellitus	Not Available	Not Available	Not Available	PMC12364752
diabetes mellitus	Not Available	Not Available	A glucose metabolism disease characterized by chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action, or both. (DO)	PMC1399450
obesity	Not Available	Not Available	A disorder characterized by having a high amount of body fat. (NCI CTCAE)	PMC9143817
hyperglycemia	Not Available	Not Available	A disorder characterized by laboratory test results that indicate an elevation in the concentration of blood sugar. It is usually an indication of diabetes mellitus or glucose intolerance. (NCI CTCAE)	PMC5063200
viral infectious disease	Not Available	Not Available	Not Available	PMC1399450
metabolic disease	Not Available	Not Available	Not Available	PMC1399450
Abdominal distention	Associated With?	Not Available	Not Available	PMC3581086
Flatulence	Associated With?	Not Available	Not Available	PMC3581086
Gaucher's disease	Not Available	Not Available	Not Available	PMC6631974

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000115	Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.	Drinking water & water supply	Not Available
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
CEDs000306	Antibiotics?Antibiotics are synthetic or semi-synthetic compounds used to treat bacterial infections in humans and animals.	Healthcare, pharmaceuticals & veterinary products	Not Available
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
CEDs000548	Preparation Of Vinegar?Vinegar is produced through the fermentation of ethanol by acetic acid bacteria, resulting in a solution that typically contains 4-8% acetic acid.	Food, food processing & cookware	PubChem
CEDs000549	Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.	Food, food processing & cookware	PubChem
CEDs000563	Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.	Household cleaning & consumer products	PubChem
CEDs000573	Key Rings?Key rings are commonly made from various synthetic materials, including plastics and metals, which can be sources of chemical contamination.	Household items	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
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	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
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
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
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
CEDs01143	Diet	Food, food processing & cookware	PMC13299887
CEDs01216	Artificial Diet	Food, food processing & cookware	PMC13299887

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Alpha-galactosidase C	Q9UUZ4	Aspergillus niger	Predicted (SEA)	Prediction Confidence Score 1.0 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 1 E-value 0.0778492
Click to view 3D structure	Sucrase-isomaltase, intestinal	P23739	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.738 Applicability Domain 1.0 Statistical Significance 2.00e-05 Supporting Reference Compounds 25 E-value 0.155698
Click to view 3D structure	Lysosomal alpha-glucosidase	P10253	Humans	Predicted (SEA)	Prediction Confidence Score 0.726 Applicability Domain 1.0 Statistical Significance 3.00e-05 Supporting Reference Compounds 21 E-value 0.233548
Click to view 3D structure	Glycogen debranching enzyme	P35573	Humans	Predicted (SEA)	Prediction Confidence Score 0.72 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 8 E-value 0.0778492
Click to view 3D structure	Sucrase-isomaltase, intestinal	P14410	Humans	Predicted (SEA)	Prediction Confidence Score 0.683 Applicability Domain 1.0 Statistical Significance 3.00e-05 Supporting Reference Compounds 14 E-value 0.233548
Click to view 3D structure	Maltase-glucoamylase	O43451	Humans	Predicted (SEA)	Prediction Confidence Score 0.675 Applicability Domain 1.0 Statistical Significance 4.00e-05 Supporting Reference Compounds 30 E-value 0.311397
Click to view 3D structure	Alpha-glucosidase MAL62	P07265	Saccharomyces cerevisiae	Predicted (SEA)	Prediction Confidence Score 0.668 Applicability Domain 0.857 Statistical Significance 2.00e-05 Supporting Reference Compounds 2 E-value 0.155698
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.646 Applicability Domain 1.0 Statistical Significance 4.00e-05 Supporting Reference Compounds 21 E-value 0.311397
Click to view 3D structure	Glucoamylase, intracellular sporulation-specific	P08019	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.632 Applicability Domain 0.857 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Neutral alpha-glucosidase C	Q8BVW0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.629 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 4 E-value 0.0778492
Click to view 3D structure	Uncharacterized protein	I3LIR5	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.6 Applicability Domain 0.857 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Alpha-galactosidase	Q42656	Coffea arabica	Predicted (SEA)	Prediction Confidence Score 0.595 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 12 E-value 0.0778492
Click to view 3D structure	Alpha-glucosidase	Q9LGC6	Oryza sativa Japonica Group	Predicted (SEA)	Prediction Confidence Score 0.565 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 5 E-value 0.0778492
Click to view 3D structure	Lysosomal acid glucosylceramidase	P04062	Humans	Predicted (SEA)	Prediction Confidence Score 0.528 Applicability Domain 1.0 Statistical Significance 1.10e-04 Supporting Reference Compounds 35 E-value 0.856341
Click to view 3D structure	IAG-nucleoside hydrolase	Q9GPQ4	Trypanosoma vivax	Predicted (SEA)	Prediction Confidence Score 0.524 Applicability Domain 0.857 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Beta-glucosidase	Q43014	Prunus avium	Predicted (SEA)	Prediction Confidence Score 0.52 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Glycogen debranching enzyme	P35574	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.509 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 5 E-value 0.0778492
Click to view 3D structure	Tissue alpha-L-fucosidase	P04066	Humans	Predicted (SEA)	Prediction Confidence Score 0.509 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 8 E-value 0.0778492
Click to view 3D structure	Beta-galactosidase	D3ZUM4	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.498 Applicability Domain 0.519 Statistical Significance 4.00e-05 Supporting Reference Compounds 2 E-value 0.311397
Click to view 3D structure	Alpha-galactosidase A	P06280	Humans	Predicted (SEA)	Prediction Confidence Score 0.489 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 5 E-value 0.0778492
Click to view 3D structure	Glycogen phosphorylase, muscle form	P00489	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.486 Applicability Domain 0.857 Statistical Significance 1.00e-05 Supporting Reference Compounds 13 E-value 0.0778492
Click to view 3D structure	Beta-hexosaminidase	Q9HZK0	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	Prediction Confidence Score 0.471 Applicability Domain 0.471 Statistical Significance 1.00e-05 Supporting Reference Compounds 1 E-value 0.0778492
Click to view 3D structure	Glycogen phosphorylase, liver form	P06737	Humans	Predicted (SEA)	Prediction Confidence Score 0.47 Applicability Domain 0.857 Statistical Significance 7.00e-05 Supporting Reference Compounds 16 E-value 0.544945
Click to view 3D structure	Lactase/phlorizin hydrolase	Q02401	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.466 Applicability Domain 0.519 Statistical Significance 4.00e-05 Supporting Reference Compounds 7 E-value 0.311397
Click to view 3D structure	Glycogen phosphorylase, liver form	P09811	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.46 Applicability Domain 0.857 Statistical Significance 1.00e-05 Supporting Reference Compounds 5 E-value 0.0778492