Details of the Drug ADMET Endpoint

General Information of Drug (ID: DMNZWL7)

Drug Name
Moclobemide
Synonyms
Arima; Aurorex; Aurorix; Deprenorm; Feraken; Manerix; Moclaime; Moclamide; Moclamine; Moclix; Moclobamide; Moclobemid; Moclobemida; Moclobemidum; Moclobeta; Moclodura; Moclonorm; NovoMoclobemide; NuMoclobemide; Rimoc; Alphapharm Brand of Moclobemide; Alpharma Brand of Moclobemide; Apo Moclobemide; Apotex Brand of Moclobemide; Azupharma Brand of Moclobemide; BC Brand of Moclobemide; Betapharm Brand of Moclobemide; Bull Brand of Moclobemide; Chem mart Brand of Moclobemide; Chem mart Moclobemide; Ct Arzneimittel Brand of Moclobemide; DBL Moclobemide; Esparma Brand of Moclobemide; Faulding Brand of Moclobemide; GenRX Moclobemide; Healthsense Brand of Moclobemide; Healthsense Moclobemide; Hexal Brand of Moclobemide; Hoffmann La Roche Brand of Moclobemide; Kendrick Brand of Moclobemide; Merck dura Brand of Moclobemide; Moclobemid AZU; Moclobemid Puren; Moclobemid Stada; Moclobemid ratiopharm; Moclobemid von ct; Moclobemide Alphapharm Brand; Moclobemide Alpharma Brand; Moclobemide Apotex Brand; Moclobemide Azupharma Brand; Moclobemide BC Brand; Moclobemide Bull Brand; Moclobemide Faulding Brand; Moclobemide Healthsense Brand; Moclobemide Hexal Brand; Moclobemide Kendrick Brand; Moclobemide Novopharm Brand; Moclobemide Pharmascience Brand; Moclobemide Roche Brand; Moclobemide Stadapharm Brand; Moclobemide Temmler Brand; Moclobemide betapharm Brand; Moclobemide esparma Brand; Moclobemide ratiopharm Brand; Novo Moclobemide; Novopharm Brand of Moclobemide; Nu Moclobemide; Nu Pharm Brand of Moclobemide; PMS Moclobemide; Pharmascience Brand of Moclobemide; Ratiopharm Brand of Moclobemide; Roche Brand of Moclobemide; Stadapharm Brand of Moclobemide; Temmler Brand of Moclobemide; Terry White Chemists Brand of Moclobemide; Terry White Chemists Moclobemide; CBMicro_048319; Moclobemid 1A Pharma; Moclobemid1A Pharma; Moclobemide 1A Brand; Ro 11 1163; AZU, Moclobemid; Apo-Moclobemide; Aurorix (TN); Ct-Arzneimittel Brand of Moclobemide; Hoffmann-La Roche Brand of Moclobemide; Manerix (TN); Moclobemid-1A Pharma; Moclobemid-Puren; Moclobemid-ratiopharm; Moclobemida [INN-Spanish]; Moclobemide Nu-Pharm Brand; Moclobemide ct-Arzneimittel Brand; Moclobemide, Chem mart; Moclobemide, DBL; Moclobemide, GenRX; Moclobemide, Healthsense; Moclobemidum [INN-Latin]; Novo-Moclobemide; Nu-Moclobemide; Nu-Pharm Brand of Moclobemide; PMS-Moclobemide; Ro 11-1163; Stada, Moclobemid; Von ct, Moclobemid; GNF-PF-695; Moclobemide (USAN/INN); Moclobemide [USAN:BAN:INN]; Moclobemide [USAN:INN:BAN]; Ro 11-1163/000; Ro-11-1163; P-Chloro-N-(2-morpholinoethyl)benzamide; 1A Brand of Moclobemide; 4-Chlor-N-(2-morpholinoethyl)benzamid; 4-Chloro-N-(2-(4-morpholinyl)ethyl)benzamide; 4-Chloro-N-(2-morpholin-4-yl-ethyl)-benzamide; 4-chloro-N-(2-morpholin-4-ylethyl)benzamide; 4-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
Therapeutic Class
Antidepressants
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Basic Physicochemical Property
EndPoint Value Percentile Histogram
Molecular Weight (MW) 268.74 29.92%
Number of Atoms (nAtom) 18 29.25%
Number of Heteroatoms (nHet) 5 44.42%
Number of Rings (nRing) 2 40.13%
Number of Rotatable Bonds (nRot) 4 53.86%
Number of Hydrogen Bond Acceptors (HBA) 3 38.44%
Number of Hydrogen Bond Donors (HBD) 1 47.86%
Topological Polar Surface Area (TPSA) 41.57 21.28%
n-Octanol/Water Partition Coefficient (SlogP) 1.4 27.37%

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 NA NA ⓘ
Absorption Lipophilicity & Solubility Solubility NA NA ⓘ
Distribution Protein Binding PPB 0.5 23.8% ⓘ
Distribution Tissue Distribution VDss 0.04 47.52% ⓘ
Distribution Tissue Distribution PPBR NA NA ⓘ
Excretion Clearance & Half-life T1/2 1.5 16.98% ⓘ
Excretion Clearance & Half-life MRT 1.8 25.61% ⓘ
Excretion Clearance & Half-life logCL(ml/min/k) 1 73.42% ⓘ
Excretion Clearance & Half-life Clearance NA NA ⓘ
Toxicity Acute & Repeated Dose Acute oral toxicity 705.17 41.11% ⓘ
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 1 ● 77.47% ⓘ
Absorption Permeability HIA 1 ● 88.93% ⓘ
Absorption Permeability MDCK NA ● NA ⓘ
Absorption Permeability PAMPA NA ● NA ⓘ
Distribution Tissue Distribution BBB 1 ● 69.73% ⓘ
Metabolism CYP450 Enzymes CYP3A4 substrate 0 ● 44.3% ⓘ
Metabolism CYP450 Enzymes CYP2C9 substrate 1 ● 32.93% ⓘ
Metabolism CYP450 Enzymes CYP2C19 substrate 1 ● 61.97% ⓘ
Metabolism CYP450 Enzymes CYP2D6 substrate 1 ● 33.46% ⓘ
Metabolism CYP450 Enzymes CYP1A2 inhibitor NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP3A4 inhibitor NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2B6 inhibitor NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2C9 inhibitor NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2C19 inhibitor NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2D6 inhibitor NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP1A2 substrate NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2B6 substrate NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2C9i inhibitor NA ● NA ⓘ
Metabolism Hepatic Stability HLM NA ● NA ⓘ
Metabolism Hepatic Stability RLM NA ● NA ⓘ
Metabolism Hepatic Stability UGT substrate NA ● NA ⓘ
Excretion Clearance & Half-life CLp 1 ● 93.54% ⓘ
Excretion Clearance & Half-life CLr 0 ● 43.38% ⓘ
Excretion Transporters OATP2B1 inhibitor 0 ● 80.15% ⓘ
Excretion Transporters OCT1 inhibitor 0 ● 72.23% ⓘ
Excretion Transporters MATE1 inhibitor 0 ● 90.91% ⓘ
Excretion Transporters P-gp inhibitor 0 ● 67.51% ⓘ
Excretion Transporters OATP1B1 inhibitor NA ● NA ⓘ
Excretion Transporters OATP1B3 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 NA ● NA ⓘ
Toxicity Carcinogenicity Rodents carcinogenicity NA ● NA ⓘ
Toxicity Cardiotoxicity hERG(1μM) 0 ● 78.82% ⓘ
Toxicity Cardiotoxicity hERG(10μM) 0 ● 43.82% ⓘ
Toxicity Cardiotoxicity hERG(30μM) 0 ● 25.59% ⓘ
Toxicity Cardiotoxicity hERG(<1μM >10μM) 0 ● 67.42% ⓘ
Toxicity Cardiotoxicity hERG(<10μM >30μM) 0 ● 31.29% ⓘ
Toxicity Cellular Toxicity Mitochondrial toxicity 0 ● 76.99% ⓘ
Toxicity Cellular Toxicity MMP 0 ● 83.73% ⓘ
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 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 ER 0 ● 91.58% ⓘ
Toxicity Endocrine Disruption Aromatase 0 ● 85.82% ⓘ
Toxicity Endocrine Disruption AhR 0 ● 90.08% ⓘ
Toxicity Endocrine Disruption ARE 0 ● 80.89% ⓘ
Toxicity Endocrine Disruption ATAD5 0 ● 94.42% ⓘ
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 0 ● 90.89% ⓘ
Toxicity Endocrine Disruption GR 0 ● 89.37% ⓘ
Toxicity Endocrine Disruption AR NA ● NA ⓘ
Toxicity Endocrine Disruption AR-LBD NA ● NA ⓘ
Toxicity Endocrine Disruption ER-LBD 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 Photoinduced toxicity 0 ● 55.25% ⓘ
Toxicity Photoinduced Toxicity Photoallergy 0 ● 58.35% ⓘ
Toxicity Photoinduced Toxicity Phototoxicity NA ● NA ⓘ
Toxicity Reproductive Toxicity Reproductive toxicity NA ● NA ⓘ
Toxicity Skin & Eye Toxicity Eye corrosion 0 ● 93.33% ⓘ
Toxicity Skin & Eye Toxicity Eye irritation 0 ● 72.82% ⓘ
Toxicity Skin & Eye Toxicity HaCaT dermatotoxicity 0 ● 88.25% ⓘ
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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