Details of the Drug ADMET Endpoint

General Information of Drug (ID: DMTIVEN)

Drug Name
Metronidazole
Synonyms
APMN; Acromona; Anagiardil; Arilin; Atrivyl; Bexon; CONT; Clont; Danizol; Deflamon; Efloran; Elyzol; Entizol; Eumin; Flagemona; Flagesol; Flagil; Flagyl; Flegyl; Florazole; Fossyol; Giatricol; Gineflavir; Giniflavir; Klion; Klont; Meronidal; Methronidazole; Metric; MetroCream; MetroGel; MetroLotion; Metrodzhil; Metrogyl; Metrolag; Metrolyl; Metromidol; Metronidaz; Metronidazol; Metronidazolo; Metronidazolum; Metrotop; Metrozine; Metryl; Mexibol; Monagyl; Monasin; NIDA; Nalox; Nidagel; Noritate; Novonidazol; Orvagil; Protostat; Rathimed; Rosased; Sanatrichom; Satric; Takimetol; Trichazol; Trichex; Trichocide; Trichomol; Trichopal; Trichopol; Tricocet; Tricom; Trikacide; Trikamon; Trikojol; Trikozol; Trimeks; Trivazol; Vagilen; Vagimid; Vandazole; Vertisal; Wagitran; Zadstat; Zidoval; Flagyl Er; Ginefla vir; METRONIDAZOLE USP; Metro Cream; Metro Gel; Metronidazole Monohydrochloride; Metronidazole Phosphoester; Metronidazole in Plastic Container; Metronidazolo [DCIT]; Tricho cordes; Trichomonacid pharmachim; Tricowas B; Bayer 5360; Flagyl 375; M0924; Metric 21; RP 8823; SC 10295; Anabact (TN); Apo-Metronidazole; Deflamon-wirkstoff; Flagyl (TN); IDR-90105; METRO I.V; MetroGel (TN); MetroGel-Vaginal; Metronidazol [INN-Spanish]; Metronidazolum [INN-Latin]; Mexibol (silanes); Neo-Tric; Noritate (TN); RP-8823; Rozex (TN); Tricho-gynaedron; ZERO/004064; CB-01-14 MMX; FLAGYL I.V. RTU IN PLASTIC CONTAINER; Flagyl I.V.; Flagyl I.V. RTU; Metro I.V.; Metro I.V. In Plastic Container; Metrogel-vaginal (TN); Metronidazole (JP15/USP/INN); Metronidazole [USAN:INN:BAN:JAN]; Methyl-5-nitroimidazole-1-ethanol; 1-Hydroxyethyl-2-methyl-5-nitroimidazole; 2-(2-methyl-5-nitroimidazol-1-yl)ethanol; 2-Methyl-5-nitro-1-imidazoleethanol; 2-Methyl-5-nitroimidazole-1-ethanol; MNZ
Therapeutic Class
Antiinfective Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Basic Physicochemical Property
EndPoint Value Percentile Histogram
Molecular Weight (MW) 171.16 10.05%
Number of Atoms (nAtom) 12 12.27%
Number of Heteroatoms (nHet) 6 55.87%
Number of Rings (nRing) 1 21.11%
Number of Rotatable Bonds (nRot) 3 41.43%
Number of Hydrogen Bond Acceptors (HBA) 5 67.49%
Number of Hydrogen Bond Donors (HBD) 1 47.86%
Topological Polar Surface Area (TPSA) 81.19 58.54%
n-Octanol/Water Partition Coefficient (SlogP) 0.09 14.22%

ADMET Endpoint Atlas of This Drug

ADMET Endpoint Overview
Download Endpoint Information
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 -0.11 9.14% ⓘ
Absorption Lipophilicity & Solubility Solubility -1.21 71.84% ⓘ
Distribution Protein Binding PPB 0.2 12.08% ⓘ
Distribution Tissue Distribution VDss -0.4 23.92% ⓘ
Distribution Tissue Distribution PPBR NA NA ⓘ
Excretion Clearance & Half-life T1/2 8 60.9% ⓘ
Excretion Clearance & Half-life MRT NA NA ⓘ
Excretion Clearance & Half-life logCL(ml/min/k) -0.07 10.34% ⓘ
Excretion Clearance & Half-life Clearance 3 13.33% ⓘ
Toxicity Acute & Repeated Dose Acute oral toxicity NA NA ⓘ
Toxicity Acute & Repeated Dose FDAMDD 0.71 14.5% ⓘ
Toxicity Carcinogenicity Mouse carcinogenicity -0.47 23.88% ⓘ
Toxicity Carcinogenicity Rat carcinogenicity -0.5 21.79% ⓘ
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 PAMPA 1 ● 62.23% ⓘ
Absorption Permeability MDCK NA ● NA ⓘ
Distribution Tissue Distribution BBB 1 ● 69.73% ⓘ
Metabolism CYP450 Enzymes CYP1A2 inhibitor 0 ● 60.67% ⓘ
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 CYP3A4 substrate 1 ● 55.7% ⓘ
Metabolism CYP450 Enzymes CYP2C9 substrate 1 ● 32.93% ⓘ
Metabolism CYP450 Enzymes CYP2D6 substrate 0 ● 66.54% ⓘ
Metabolism CYP450 Enzymes CYP2B6 inhibitor NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP1A2 substrate NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2B6 substrate NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2C19 substrate NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2C9i inhibitor NA ● NA ⓘ
Metabolism Hepatic Stability UGT substrate 1 ● 40.52% ⓘ
Metabolism Hepatic Stability HLM NA ● NA ⓘ
Metabolism Hepatic Stability RLM NA ● NA ⓘ
Excretion Clearance & Half-life CLp 0 ● 6.46% ⓘ
Excretion Clearance & Half-life CLr 0 ● 43.38% ⓘ
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 NA ● NA ⓘ
Toxicity Carcinogenicity Rodents carcinogenicity 1 ● 37.1% ⓘ
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 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 Avian toxicity (Colinus virginanus) 0 ● 91.11% ⓘ
Toxicity Ecotoxicity Avian toxicity (Anas platyrhynchos) 0 ● 91.49% ⓘ
Toxicity Ecotoxicity P. subcapitata toxicity 0 ● 49.66% ⓘ
Toxicity Ecotoxicity Crustaceans toxicity 0 ● 62.33% ⓘ
Toxicity Ecotoxicity D. magna toxicity 0 ● 63.85% ⓘ
Toxicity Ecotoxicity Fish toxicity 0 ● 47.92% ⓘ
Toxicity Ecotoxicity Bluegill sunfish toxicity 0 ● 42.5% ⓘ
Toxicity Ecotoxicity Rainbow trout toxicity 0 ● 34.83% ⓘ
Toxicity Ecotoxicity Sheepshead minnow toxicity 0 ● 29.03% ⓘ
Toxicity Ecotoxicity Honey bee toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Fathead minnow toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Biodegradability NA ● NA ⓘ
Toxicity Endocrine Disruption AR 0 ● 88.77% ⓘ
Toxicity Endocrine Disruption ER 0 ● 91.58% ⓘ
Toxicity Endocrine Disruption AR-LBD 0 ● 87.76% ⓘ
Toxicity Endocrine Disruption ER-LBD 0 ● 87.41% ⓘ
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 Genotoxicity Ames mutagenesis 1 ● 29.73% ⓘ
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 NA ● NA ⓘ
Toxicity Photoinduced Toxicity Phototoxicity NA ● NA ⓘ
Toxicity Photoinduced Toxicity Photoallergy 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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