Details of the Drug ADMET Endpoint

General Information of Drug (ID: DMYZ57N)

Drug Name
Albendazole
Synonyms
Albendazol; Albendazolum; Albendoral; Albenza; Bendapar; Bilutac; Digezanol; Disthelm; Endoplus; Eskazole; Gascop; Lurdex; Metiazol; Proftril; Valbazen; Zental; Zentel; Albendazole Armstrong Brand; Albendazole Diba Brand; Albendazole Fustery Brand; Albendazole Hormona Brand; Albendazole Liferpal Brand; Albendazole Monohydrochloride; Albendazole Pfizer Brand; Albendazole Sanicoopa Brand; Albendazole Valdecasas Brand; Armstrong Brand of Albendazole; Diba Brand of Albendazole; Fustery Brand of Albendazole; Hormona Brand of Albendazole; Liferpal Brand of Albendazole; Mediamix V Disthelm; Noe Socopharm Brand of Albendazole; Pfizer Brand of Albendazole; Sanicoopa Brand of Albendazole; SmithKline Beecham Brand of Albendazole; Valdecasas Brand of Albendazole; SKF 62979; SKF62979; Albendazol [INN-Spanish]; Albendazole Noe-Socopharm Brand; Albendazolum [INN-Latin]; Albenza (TN); Disthelm, Mediamix V; Eskazole (TN); Monohydrochloride, Albendazole; Noe-Socopharm Brand of Albendazole; SK&F 62979; SK&F62979; SKF-62979; Smith Kline & French Brand of Albendazole; V Disthelm, Mediamix; Zentel (TN); SK&F-62979; Albendazole (JAN/USP/INN); Albendazole [USAN:INN:BAN:JAN]; Albenza, Eskazole, Zentel, Andazol, Albendazole; Methyl 5-(propylthio)-2-benzimidazolecarbamate; Methyl [5-(Propylthio)benzimidazol-2-yl]carbamate; Methyl-5-[propylthio]-2-benzimidazole carbamate; [5-(Propylthio)benzimidazol-2-yl]carbamic Acid Methyl Ester; Methyl 5-(propyl-thio)-2-benzimidazolecarbamate; Methyl [5-(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate; Methyl [5-(propylthio)-1H-benzimidazol-2-yl]carbamate; Methyl [6-(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate; [5-(Propythio)-1H-benzimidazol-2-yl]carbamic acid methyl ester; MethylN-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate; O-Methyl N-(5-(propylthio)-2-benzimidazolyl)carbamate; Carbamic acid, [5-(propylthio)-1H-benzimidazol-2-yl]-, methyl ester; Methyl N-[6-(propylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate; CARBAMIC ACID, (5-(PROPYLTHIO)-1H-BENZIMIDAZOL-2-YL)-, METHYL ESTER; Methyl [(2Z)-5-(propylsulfanyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]carbamate; ((Propylthio)-5 1H-benzimidazolyl-2) carbamate de methyle; ((Propylthio)-5 1H-benzimidazolyl-2) carbamate de methyle [French]; (5-(Propylthio)-1H-benzimidazol-2-yl)carbamic acid methyl ester; (5-Propylsulfanyl-1H-benzoimidazol-2-yl)-carbamic acid methyl ester; 5-(Propylthio)-2-carbomethoxyaminobenzimidazole
Therapeutic Class
Antiprotozoal Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Basic Physicochemical Property
EndPoint Value Percentile Histogram
Molecular Weight (MW) 265.34 28.96%
Number of Atoms (nAtom) 18 29.25%
Number of Heteroatoms (nHet) 6 55.87%
Number of Rings (nRing) 2 40.13%
Number of Rotatable Bonds (nRot) 4 53.86%
Number of Hydrogen Bond Acceptors (HBA) 4 54.46%
Number of Hydrogen Bond Donors (HBD) 2 73.71%
Topological Polar Surface Area (TPSA) 67.01 45.74%
n-Octanol/Water Partition Coefficient (SlogP) 3.24 58.79%

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 NA NA ⓘ
Absorption Lipophilicity & Solubility Hydration Free Energy NA NA ⓘ
Absorption Lipophilicity & Solubility Lipophilicity 3.24 81.57% ⓘ
Absorption Lipophilicity & Solubility Solubility -4.22 20.8% ⓘ
Distribution Protein Binding PPB 0.7 33.55% ⓘ
Distribution Tissue Distribution VDss NA NA ⓘ
Distribution Tissue Distribution PPBR 95.43 55.35% ⓘ
Excretion Clearance & Half-life T1/2 10.2 66.98% ⓘ
Excretion Clearance & Half-life MRT NA NA ⓘ
Excretion Clearance & Half-life logCL(ml/min/k) NA NA ⓘ
Excretion Clearance & Half-life Clearance 47.89 70.53% ⓘ
Toxicity Acute & Repeated Dose Acute oral toxicity 2395.47 66.58% ⓘ
Toxicity Acute & Repeated Dose FDAMDD 0 4.48% ⓘ
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% 0 ● 41.21% ⓘ
Absorption Oral Bioavailability F30% 0 ● 28.91% ⓘ
Absorption Oral Bioavailability F20% 0 ● 21.36% ⓘ
Absorption Oral Bioavailability Bioavailability NA ● NA ⓘ
Absorption Permeability HIA NA ● NA ⓘ
Absorption Permeability MDCK NA ● NA ⓘ
Absorption Permeability PAMPA NA ● NA ⓘ
Distribution Tissue Distribution BBB 1 ● 69.73% ⓘ
Metabolism CYP450 Enzymes CYP1A2 inhibitor 1 ● 39.33% ⓘ
Metabolism CYP450 Enzymes CYP3A4 inhibitor 0 ● 82.45% ⓘ
Metabolism CYP450 Enzymes CYP2C9 inhibitor 0 ● 81.65% ⓘ
Metabolism CYP450 Enzymes CYP2C19 inhibitor 0 ● 78.08% ⓘ
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 CYP2D6 substrate 1 ● 33.46% ⓘ
Metabolism CYP450 Enzymes CYP2C9i inhibitor 0 ● 80.43% ⓘ
Metabolism CYP450 Enzymes CYP2B6 inhibitor NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2B6 substrate NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2C19 substrate 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 OCT1 inhibitor 0 ● 72.23% ⓘ
Excretion Transporters MATE1 inhibitor 0 ● 90.91% ⓘ
Excretion Transporters P-gp inhibitor 0 ● 67.51% ⓘ
Excretion Transporters OATP2B1 inhibitor NA ● NA ⓘ
Excretion Transporters OCT2 inhibitor NA ● NA ⓘ
Excretion Transporters BCRP inhibitor NA ● NA ⓘ
Excretion Transporters BSEP 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 1 ● 13.97% ⓘ
Toxicity Cytotoxicity NIH3T3 1 ● 12.28% ⓘ
Toxicity Cytotoxicity CRL-7250 1 ● 10.35% ⓘ
Toxicity Cytotoxicity RPMI_8226 Immunitoxicity NA ● NA ⓘ
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 Crustaceans toxicity NA ● NA ⓘ
Toxicity Ecotoxicity D. magna 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 GR 1 ● 10.63% ⓘ
Toxicity Endocrine Disruption AR NA ● NA ⓘ
Toxicity Endocrine Disruption ER NA ● NA ⓘ
Toxicity Endocrine Disruption AR-LBD NA ● NA ⓘ
Toxicity Endocrine Disruption ER-LBD NA ● NA ⓘ
Toxicity Endocrine Disruption Aromatase NA ● NA ⓘ
Toxicity Endocrine Disruption AhR NA ● NA ⓘ
Toxicity Endocrine Disruption ARE NA ● NA ⓘ
Toxicity Endocrine Disruption ATAD5 NA ● NA ⓘ
Toxicity Endocrine Disruption HSE NA ● NA ⓘ
Toxicity Endocrine Disruption p53 NA ● NA ⓘ
Toxicity Endocrine Disruption PPAR-γ NA ● NA ⓘ
Toxicity Endocrine Disruption TR 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 NA ● NA ⓘ
Toxicity Organ Toxicity Nephrotoxicity NA ● NA ⓘ
Toxicity Organ Toxicity Ototoxicity NA ● NA ⓘ
Toxicity Photoinduced Toxicity Photoinduced toxicity 0 ● 55.25% ⓘ
Toxicity Photoinduced Toxicity Photoallergy 0 ● 58.35% ⓘ
Toxicity Photoinduced Toxicity Phototoxicity NA ● NA ⓘ
Toxicity Reproductive Toxicity Reproductive toxicity 1 ● 77.82% ⓘ
Toxicity Skin & Eye Toxicity HaCaT dermatotoxicity 0 ● 88.25% ⓘ
Toxicity Skin & Eye Toxicity Eye corrosion NA ● NA ⓘ
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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