Details of the Drug ADMET Endpoint

General Information of Drug (ID: DMK0O7U)

Drug Name
Flutamide
Synonyms
Apimid; ApoFlutamide; Cebatrol; Chimax; Cytamid; Drogenil; Eulexin; Eulexine; Fluken; Flulem; Flumid; FlutaGRY; Flutacell; Flutamida; Flutamidum; Flutamin; Flutandrona; Flutaplex; Flutexin; Fugerel; METHOXYCHLOR; NFBA; Niftholide; Niftolid; Niftolide; NovoFlutamide; Odyne; Oncosal; Prostacur; Prostandril; Prostica; Prostogenat; Testotard; Alphapharm Brand of Flutamide; Apo Flutamide; Apogepha Brand of Flutamide; Apotex Brand of Flutamide; Azupharma Brand of Flutamide; Cell pharm Brand of Flutamide; Chephasaar Brand of Flutamide; Chiron Brand of Flutamide; Ciclum Brand of Flutamide; Esparma Brand of Flutamide; Essex Brand of Flutamide; Fluta GRY; Fluta cell; Gry Brand of Flutamide; Hexal Brand of Flutamide; InibsaBrand of Flutamide; Ipsen Brand of Flutamide; Juta Brand of Flutamide; Kendrick Brand of Flutamide; Lemery Brand of Flutamide; Novo Flutamide; Novopharm Brand of Flutamide; PMS Flutamide; Pharmascience Brand of Flutamide; Prasfarma Brand of Flutamide; Q Pharm Brand of Flutamide; Schering Brand of Flutamide; Schering Plough Brand of Flutamide; TAD Brand of Flutamide; Tedec Meiji Brand of Flutamide; F 9397; F0663; Fluta 1A Pharma; Flutamide USP25; SCH13521; Sch 13521; Apo-Flutamide; Cebatrol, veterinary; Eulexin (TN); Fluta-GRY; Fluta-cell; Flutamida [INN-Spanish]; Flutamide(pubertal study); Flutamidum [INN-Latin]; NK-601; Novo-Flutamide; PMS-Flutamide; PUBERTAL FLUTAMIDE STUDY (PUBERTAL STUDIES OF VINCLOZOLIN; Q-Pharm Brand of Flutamide; Sch-13521; Schering-Plough Brand of Flutamide; Flutamide [USAN:BAN:INN]; Ham's F-12 medium; Eulexin, Flutamin, Drogenil,Flutamide; Flutamide (JAN/USP/INN); Alpha,alpha,alpha-Trifluoro-2-methyl-4'-nitro-m-propionotoluidide; M-propionotoluidide,alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro; M-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-(8CI); 1A Brand of Flutamide; 2-Methyl-N-(4-nitro-3-[trifluoromethyl]phenyl)propanamide; 2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide; 2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide; 4'-Nitro-3'-(trifluoromethyl)isobutyranilide; 4'-Nitro-3'-trifluoromethylisobutyramilide; 4'-Nitro-3'-trifluoromethylisobutyranilide; 4-Nitro-3-(trifluoromethyl)isobutyranilide; Flutamide (AR inhibitor)
Therapeutic Class
Anticancer Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Basic Physicochemical Property
EndPoint Value Percentile Histogram
Molecular Weight (MW) 276.21 31.67%
Number of Atoms (nAtom) 19 32.47%
Number of Heteroatoms (nHet) 8 74.78%
Number of Rings (nRing) 1 21.11%
Number of Rotatable Bonds (nRot) 3 41.43%
Number of Hydrogen Bond Acceptors (HBA) 3 38.44%
Number of Hydrogen Bond Donors (HBD) 1 47.86%
Topological Polar Surface Area (TPSA) 72.24 49.99%
n-Octanol/Water Partition Coefficient (SlogP) 3.21 58.22%

ADMET Endpoint Atlas of This Drug

ADMET Endpoint Overview
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ADMET Regression Property
ADMET Type Classification Endpoint Value Percentile Histogram Info
Absorption Oral Bioavailability Caco-2 -4.32 88.01% ⓘ
Absorption Lipophilicity & Solubility Hydration Free Energy NA NA ⓘ
Absorption Lipophilicity & Solubility Lipophilicity 3.46 87% ⓘ
Absorption Lipophilicity & Solubility Solubility -6.54 2.36% ⓘ
Distribution Protein Binding PPB 0.95 64.85% ⓘ
Distribution Tissue Distribution VDss NA NA ⓘ
Distribution Tissue Distribution PPBR NA NA ⓘ
Excretion Clearance & Half-life T1/2 NA NA ⓘ
Excretion Clearance & Half-life MRT NA NA ⓘ
Excretion Clearance & Half-life logCL(ml/min/k) NA NA ⓘ
Excretion Clearance & Half-life Clearance NA NA ⓘ
Toxicity Acute & Repeated Dose Acute oral toxicity 787.09 43.76% ⓘ
Toxicity Acute & Repeated Dose FDAMDD NA NA ⓘ
Toxicity Carcinogenicity Mouse carcinogenicity NA NA ⓘ
Toxicity Carcinogenicity Rat carcinogenicity NA NA ⓘ
Toxicity Ecotoxicity T. pyriformis toxicity NA NA ⓘ
Toxicity Ecotoxicity BCF NA NA ⓘ
Toxicity Organ Toxicity Neurotoxicity NA NA ⓘ
ADMET Classification Property
ADMET Type Classification Endpoint Value Sign Proportion Info
Absorption Oral Bioavailability F50% 1 ● 58.79% ⓘ
Absorption Oral Bioavailability F30% 1 ● 71.09% ⓘ
Absorption Oral Bioavailability F20% 1 ● 78.64% ⓘ
Absorption Oral Bioavailability Bioavailability NA ● NA ⓘ
Absorption Permeability HIA 1 ● 88.93% ⓘ
Absorption Permeability MDCK NA ● NA ⓘ
Absorption Permeability PAMPA NA ● NA ⓘ
Distribution Tissue Distribution BBB NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP1A2 inhibitor 1 ● 39.33% ⓘ
Metabolism CYP450 Enzymes CYP3A4 inhibitor 1 ● 17.55% ⓘ
Metabolism CYP450 Enzymes CYP2C19 inhibitor 1 ● 21.92% ⓘ
Metabolism CYP450 Enzymes CYP2D6 inhibitor 0 ● 70.02% ⓘ
Metabolism CYP450 Enzymes CYP1A2 substrate 1 ● 64% ⓘ
Metabolism CYP450 Enzymes CYP3A4 substrate 1 ● 55.7% ⓘ
Metabolism CYP450 Enzymes CYP2C9 substrate 1 ● 32.93% ⓘ
Metabolism CYP450 Enzymes CYP2C19 substrate 1 ● 61.97% ⓘ
Metabolism CYP450 Enzymes CYP2D6 substrate 0 ● 66.54% ⓘ
Metabolism CYP450 Enzymes CYP2B6 inhibitor NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2C9 inhibitor NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2B6 substrate NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2C9i inhibitor NA ● NA ⓘ
Metabolism Hepatic Stability UGT substrate 0 ● 59.48% ⓘ
Metabolism Hepatic Stability HLM NA ● NA ⓘ
Metabolism Hepatic Stability RLM NA ● NA ⓘ
Excretion Clearance & Half-life CLp 1 ● 93.54% ⓘ
Excretion Clearance & Half-life CLr 1 ● 56.62% ⓘ
Excretion Transporters OATP1B1 inhibitor 1 ● 90.71% ⓘ
Excretion Transporters OATP1B3 inhibitor 1 ● 93.59% ⓘ
Excretion Transporters P-gp inhibitor 0 ● 67.51% ⓘ
Excretion Transporters OATP2B1 inhibitor NA ● NA ⓘ
Excretion Transporters OCT1 inhibitor NA ● NA ⓘ
Excretion Transporters OCT2 inhibitor NA ● NA ⓘ
Excretion Transporters BCRP inhibitor NA ● NA ⓘ
Excretion Transporters BSEP inhibitor NA ● NA ⓘ
Excretion Transporters MATE1 inhibitor NA ● NA ⓘ
Excretion Transporters P-gp substrate NA ● NA ⓘ
Toxicity Acute & Repeated Dose Repeated dose toxicity 1 ● 53.42% ⓘ
Toxicity Carcinogenicity Rodents carcinogenicity NA ● NA ⓘ
Toxicity Cardiotoxicity hERG(1μM) NA ● NA ⓘ
Toxicity Cardiotoxicity hERG(10μM) NA ● NA ⓘ
Toxicity Cardiotoxicity hERG(30μM) NA ● NA ⓘ
Toxicity Cardiotoxicity hERG(<1μM >10μM) NA ● NA ⓘ
Toxicity Cardiotoxicity hERG(<10μM >30μM) NA ● NA ⓘ
Toxicity Cellular Toxicity Mitochondrial toxicity 1 ● 23.01% ⓘ
Toxicity Cellular Toxicity MMP 1 ● 16.27% ⓘ
Toxicity Cellular Toxicity Lysosomal toxicity (Phospholipidosis) 0 ● 76.92% ⓘ
Toxicity Cellular Toxicity Hemolytic toxicity NA ● NA ⓘ
Toxicity Cytotoxicity HEK293 0 ● 86.03% ⓘ
Toxicity Cytotoxicity NIH3T3 0 ● 87.72% ⓘ
Toxicity Cytotoxicity CRL-7250 0 ● 89.65% ⓘ
Toxicity Cytotoxicity RPMI_8226 Immunitoxicity NA ● NA ⓘ
Toxicity Ecotoxicity Crustaceans toxicity 1 ● 37.67% ⓘ
Toxicity Ecotoxicity D. magna toxicity 1 ● 36.15% ⓘ
Toxicity Ecotoxicity Honey bee toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Avian toxicity (Colinus virginanus) NA ● NA ⓘ
Toxicity Ecotoxicity Avian toxicity (Anas platyrhynchos) NA ● NA ⓘ
Toxicity Ecotoxicity P. subcapitata toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Fish toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Fathead minnow toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Bluegill sunfish toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Rainbow trout toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Sheepshead minnow toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Biodegradability NA ● NA ⓘ
Toxicity Endocrine Disruption AR-LBD 1 ● 12.24% ⓘ
Toxicity Endocrine Disruption ER-LBD 1 ● 12.59% ⓘ
Toxicity Endocrine Disruption AhR 0 ● 90.08% ⓘ
Toxicity Endocrine Disruption ARE 1 ● 19.11% ⓘ
Toxicity Endocrine Disruption HSE 0 ● 94.78% ⓘ
Toxicity Endocrine Disruption p53 0 ● 91.23% ⓘ
Toxicity Endocrine Disruption PPAR-γ 0 ● 90.88% ⓘ
Toxicity Endocrine Disruption TR 1 ● 9.11% ⓘ
Toxicity Endocrine Disruption AR NA ● NA ⓘ
Toxicity Endocrine Disruption ER NA ● NA ⓘ
Toxicity Endocrine Disruption Aromatase NA ● NA ⓘ
Toxicity Endocrine Disruption ATAD5 NA ● NA ⓘ
Toxicity Endocrine Disruption GR NA ● NA ⓘ
Toxicity Genotoxicity Ames mutagenesis NA ● NA ⓘ
Toxicity Genotoxicity Micronucleus NA ● NA ⓘ
Toxicity Organ Toxicity DILI 1 ● 55.48% ⓘ
Toxicity Organ Toxicity Respiratory toxicity 1 ● 89.23% ⓘ
Toxicity Organ Toxicity Ototoxicity 1 ● 62.27% ⓘ
Toxicity Organ Toxicity Nephrotoxicity NA ● NA ⓘ
Toxicity Photoinduced Toxicity Phototoxicity 1 ● 40.44% ⓘ
Toxicity Photoinduced Toxicity Photoinduced toxicity NA ● NA ⓘ
Toxicity Photoinduced Toxicity Photoallergy NA ● NA ⓘ
Toxicity Reproductive Toxicity Reproductive toxicity 1 ● 77.82% ⓘ
Toxicity Skin & Eye Toxicity Eye corrosion 0 ● 93.33% ⓘ
Toxicity Skin & Eye Toxicity HaCaT dermatotoxicity 0 ● 88.25% ⓘ
Toxicity Skin & Eye Toxicity Eye irritation NA ● NA ⓘ
Toxicity Skin & Eye Toxicity Skin corrosion NA ● NA ⓘ
Toxicity Skin & Eye Toxicity Skin irritation NA ● NA ⓘ
Toxicity Skin & Eye Toxicity Skin sensitisation NA ● NA ⓘ
Toxicity Skin & Eye Toxicity Acute dermal toxicity NA ● NA ⓘ
Frequency Distribution Histogram
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