Famciclovir (CED0005467)

Record Information

Version

1.0

Creation Date

2016-05-22 03:41:02 UTC

Update Date

2026-08-19 06:39:39 UTC

SynCED ID

CED0005467

Secondary Accession Numbers

CHEM016705

Identification

Common Name

Famciclovir

Class

Small Molecule

Description

Famciclovir is an organic compound with the chemical formula C14H19N5O4 and an average molecular weight of 321.33 g/mol. Famciclovir belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. In terms of biological activity, the compound acts as an inhibitor of the DNA polymerase catalytic subunit. The compound is associated with 18 recorded sources. Within the category of healthcare, pharmaceuticals, and veterinary products, it is identified as an antiinfective and an antiviral. It is also linked to food preservation in the context of food, food processing, and cookware. Other recorded sources include household cleaning and consumer products, such as tobacco smoke filters, perfumes within detergents and soaps, non electric simulated smoking devices, cigar cigarettes, and other smoking requisites. Additionally, it is found in electrical and electronic equipment, specifically including electrodes, hybrid capacitors, antennas, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials, among five other sources. The recorded route of exposure for famciclovir is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-(2-(2-Amino-9H-purin-9-yl)ethyl)-1,3-propanediol diacetate	ChEBI
9-[4-Acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine	ChEBI
Acetic acid 2-acetoxymethyl-4-(2-amino-purin-9-yl)-butyl ester	ChEBI
BRL-42810	ChEBI
Famciclovirum	ChEBI
Famvir	ChEBI
FCV	ChEBI
2-(2-(2-Amino-9H-purin-9-yl)ethyl)-1,3-propanediol diacetic acid	Generator
Acetate 2-acetoxymethyl-4-(2-amino-purin-9-yl)-butyl ester	Generator
9-(4-Acetoxy-3-(acetoxymethyl)but-1-yl)-2-aminopurine	HMDB

Chemical Formula

C₁₄H₁₉N₅O₄

Average Molecular Mass

321.332 g/mol

Monoisotopic Mass

321.144 g/mol

CAS Registry Number

104227-87-4

IUPAC Name

2-[(acetyloxy)methyl]-4-(2-amino-9H-purin-9-yl)butyl acetate

Traditional Name

famciclovir

SMILES

CC(=O)OCC(CCN1C=NC2=CN=C(N)N=C12)COC(C)=O

InChI Identifier

InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)

InChI Key

GGXKWVWZWMLJEH-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Imidazopyrimidines

Sub Class

Purines and purine derivatives

Direct Parent

Purines and purine derivatives

Alternative Parents

Substituents

Purine
Aminopyrimidine
Pyrimidine
Dicarboxylic acid or derivatives
N-substituted imidazole
Azole
Heteroaromatic compound
Imidazole
Amino acid or derivatives
Carboxylic acid ester
Carboxylic acid derivative
Azacycle
Amine
Organonitrogen compound
Organooxygen compound
Primary amine
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

acetate ester (CHEBI:4974 )
2-aminopurines (CHEBI:4974 )

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 (PMC12695646 )?
prodrug (PMC10458903 )?

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

Property	Value	Source
Water Solubility	1.32 g/L	ALOGPS
logP	0.13	ALOGPS
logP	-0.48	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	16.7	ChemAxon
pKa (Strongest Basic)	5.05	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	122.22 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	81.54 m³·mol⁻¹	ChemAxon
Polarizability	32.83 Å³	ChemAxon
Number of Rings	2	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	splash10-01ox-7790000000-b7591056c9a4a954cf54	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00dr-1869000000-c198d52e11cc029a313c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-0329000000-cfd0210d7c106403c4fe	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0079-1983000000-d8ee07fbce9af629cd5c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0229-1298000000-d5136e5b9df2f19b790a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03dr-1971000000-e7d91146862aeb4cf127	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000l-2920000000-e3143ba3279219407909	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-4029000000-2a4e705554c3ab16e50d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-053r-7922000000-ec9365fe5af199a1d4c0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0536-9800000000-60c297c902469ee6f5fa	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0009000000-78f4f0994078633f8a0f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fk9-0479000000-e23c5d13aac6fbd2f27a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-1930000000-7b8d2995ee0555d2ce2c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9200000000-44fb2fcb2578da21c786	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9200000000-bed3b3a468bd2f142987	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9400000000-a899d0ec1d4b27e6e9c7	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
2395.0 Log mg/kg [1300:4300]	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
infectious disease	Not Available	Not Available	Not Available	PMC6222691
genital herpes	Not Available	Not Available	Not Available	PMC13215639
Simplexvirus	Not Available	Not Available	Not Available	PMC6437009

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
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
CEDs000351	Antivirals?Antivirals are synthetic chemicals designed to inhibit the replication of viruses and are widely used in the treatment of viral infections in humans and animals.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000395	Antiinfectives?Anti-infectives are a class of synthetic chemicals designed to combat infections caused by bacteria, viruses, fungi, and parasites.	Healthcare, pharmaceuticals & veterinary products	Not Available
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
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
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
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
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	PubChem
CEDs000531	Relays?Relays are electromechanical switches used to control circuits and manage electrical loads.	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
CEDs000539	Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.	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
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
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning 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
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
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	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
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	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
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	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
CEDs000613	Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.	Personal care & cosmetics	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000617	Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	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
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
CEDs000673	Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.	Aviation & Aerospace	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
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
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

Pathways

3 pathwaysPathway Source: PathBank

Famciclovir Action Pathway

Famciclovir Drug Metabolism Action Pathway

Famciclovir Predicted Metabolism Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Purine nucleoside phosphorylase	P00491	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.317 Statistical Significance 5.60e-04 Supporting Reference Compounds 19 E-value 4.35956
Click to view 3D structure	Hypoxanthine-guanine phosphoribosyltransferase	P00492	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.317 Statistical Significance 3.60e-04 Supporting Reference Compounds 7 E-value 2.80257
Click to view 3D structure	Alpha-1-antichymotrypsin	P01011	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.253 Low confidence Statistical Significance 9.60e-04 Supporting Reference Compounds 1 E-value 7.47353
Click to view 3D structure	Dihydrofolate reductase	P0ABQ4	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.254 Low confidence Statistical Significance 0.0199 Supporting Reference Compounds 92 E-value 155.154
Click to view 3D structure	Dihydrofolate reductase	P00381	Lactobacillus casei	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.254 Low confidence Statistical Significance 0.0249 Supporting Reference Compounds 60 E-value 194.078
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	P42336	Humans	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.263 Low confidence Statistical Significance 0.3626 Supporting Reference Compounds 536 E-value 2822.97
Click to view 3D structure	Bifunctional dihydrofolate reductase-thymidylate synthase	Q27713	Plasmodium berghei str. ANKA	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.238 Low confidence Statistical Significance 0.0038 Supporting Reference Compounds 14 E-value 29.2713
Click to view 3D structure	Histidine decarboxylase	P16453	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.23 Low confidence Statistical Significance 0.0038 Supporting Reference Compounds 1 E-value 29.3492
Click to view 3D structure	Serine/threonine-protein kinase mTOR	P42345	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.263 Low confidence Statistical Significance 0.2899 Supporting Reference Compounds 403 E-value 2257.0
Click to view 3D structure	Bifunctional dihydrofolate reductase-thymidylate synthase	Q07422	Toxoplasma gondii	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.233 Low confidence Statistical Significance 0.0348 Supporting Reference Compounds 89 E-value 271.071
Click to view 3D structure	Dihydrofolate reductase	O30463	Mycobacterium avium	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.233 Low confidence Statistical Significance 0.0139 Supporting Reference Compounds 23 E-value 108.6
Click to view 3D structure	Dihydrofolate reductase	P00374	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.238 Low confidence Statistical Significance 0.0607 Supporting Reference Compounds 156 E-value 472.311
Click to view 3D structure	Dihydrofolate reductase	Q920D2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.238 Low confidence Statistical Significance 0.0294 Supporting Reference Compounds 82 E-value 228.799
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	O00329	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.263 Low confidence Statistical Significance 0.3252 Supporting Reference Compounds 459 E-value 2531.97
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	P48736	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.263 Low confidence Statistical Significance 0.3299 Supporting Reference Compounds 450 E-value 2568.48
Click to view 3D structure	Phosphatidylinositol 4-kinase beta	Q9UBF8	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.263 Low confidence Statistical Significance 0.1991 Supporting Reference Compounds 184 E-value 1550.21
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	P42338	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.263 Low confidence Statistical Significance 0.2956 Supporting Reference Compounds 372 E-value 2301.15
Click to view 3D structure	DNA-dependent protein kinase catalytic subunit	P78527	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.263 Low confidence Statistical Significance 0.1469 Supporting Reference Compounds 219 E-value 1143.84
Click to view 3D structure	Dihydrofolate reductase	P04174	Neisseria gonorrhoeae	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.238 Low confidence Statistical Significance 0.0031 Supporting Reference Compounds 12 E-value 24.0554
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.262 Low confidence Statistical Significance 0.6483 Supporting Reference Compounds 1301 E-value 5047.04
Click to view 3D structure	Dihydrofolate reductase	P16184	Pneumocystis carinii	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.233 Low confidence Statistical Significance 0.0267 Supporting Reference Compounds 62 E-value 207.935
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.263 Low confidence Statistical Significance 0.4519 Supporting Reference Compounds 497 E-value 3518.24
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.262 Low confidence Statistical Significance 0.6213 Supporting Reference Compounds 1158 E-value 4836.54
Click to view 3D structure	Dihydrofolate reductase	P0ABQ4	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.233 Low confidence Statistical Significance 0.0061 Supporting Reference Compounds 11 E-value 47.4102
Click to view 3D structure	Phosphatidylinositol 3-kinase catalytic subunit type 3	Q8NEB9	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.263 Low confidence Statistical Significance 0.0836 Supporting Reference Compounds 95 E-value 650.975
Click to view 3D structure	Aldehyde oxidase	Q06278	Humans	Known	Not Available
Click to view 3D structure	Cytochrome P450 3A7	P24462	Humans	Known	Not Available