Details of the Drug ADMET Endpoint

General Information of Drug (ID: DMEGIQ6)

Drug Name
Nitrazepam
Synonyms
Alodorm; Apodorm; Benzalin; Calsamin; Calsmin; Cerson; Dormalon; Dumolid; Eatan; Epibenzalin; Epinelbon; Eunoctin; Eunoktin; Gerson; Hipnax; Hipsal; Ibrovek; Imadorm; Imeson; Imesont; Ipersed; Magadon; Megadon; Mitidin; Mogadan; Mogadon; Mogadone; Nelbon; Nelmat; Neozepam; Neuchlonic; Nitrados; Nitravet; Nitrazadon; Nitrazep; Nitrazepamum; Nitrempax; Nitrenpax; Nitrodiazepam; Noctesed; Novanox; Pacisyn; Paxisyn; Pelson; Persopit; Radedorm; Relact; Remnos; Serenade; Somitran; Somnased; Somnibel; Somnite; Sonebon; Sonnolin; Surem; Trazenin; Unisomnia; Aliud Brand of Nitrazepam; Allphar Brand of Nitrazepam; Alphapharma Brand of Nitrazepam; Alpharma Brand of Nitrazepam; Alter Brand of Nitrazepam; CSP Brand of Nitrazepam; DDSA Brand of Nitrazepam; Dermatech Brand of Nitrazepam; Desitin Brand of Nitrazepam; Dormicum Brand of Nitrazepam; Eatan N; ICN Brand of Nitrazepam; Neuraxpharm Brand of Nitrazepam; Nitrazepam AL; Norgine Brand of Nitrazepam; Pfleger Brand of Nitrazepam; Protea Brand of Nitrazepam; Rhoxalpharma Brand of Nitrazepam; Sandoz nitrazepam; Scheurich Brand of Nitrazepam; Sonebon Tofraniln A; Taurus Brandof Nitrazepam; United Drug Brand of Nitrazepam; Wernigerode Brand of Nitrazepam; LA 1; S 2000; Alodorm (TN); Apo-nitrazepam tablets BP; Apodorm (TN); Arem (TN); Benzalin (TN); Cavodan (TN); Ct-Arzneimittel Brand of Nitrazepam; Dima (TN); Dormalon (TN); Dormicum (anticonvulsant); Dormigen (TN); Dormin-5; Dormo-Puren; Dumolid (TN); Eatan N (TN); Eunoctin (TN); Hypnotex (TN); ISOPROPYLACETATE/NITRAZEPAM; Imeson (TN); Insoma (TN); Insomin (TN); Ipersed (TN); LA 1 (VAN); Mitidin (TN); Mogadan (TN); Mogadon (TN); N-Desmethylnimetazepam; Nitavan (TN); Nitepam (TN); Nitrados (TN); Nitrapan (TN); Nitravet (TN); Nitrazadon (TN); Nitrazep (TN); Nitrazepam (TN); Nitrazepam Capsules BP 1993 (TN); Nitrazepam Oral Suspension BP 1993 (TN); Nitrazepam Tablets BP 1993 (TN); Nitrazepam-10; Nitrazepam-5; Nitrazepam-neuraxpharm; Nitrazepamum [INN-Latin]; Nitrazepan (TN); Nitrazepol (TN); Nitredon (TN); Nitrosun (TN); Novanox (TN); Numbon (TN); Onirema (TN); Ormodon (TN); Pacisyn (TN); Paxadorm (TN); Pelson (TN); Pelsonfilina (TN); Protraz (TN); Radedorm (TN); Remnos (TN); Rhoxal-nitrazepam; Ro 4-5360; Ro 5-3059; Ro 53-60; Serenade (TN); Somnibel N (TN); Somnipar (TN); Somnite (TN); Sonebon (TN); Sonotrat (TN); Surem (TN); Tri (TN); Unisomnia (TN); Dormo-Puren (TN); Nitrazepam (JP15/USAN/INN); Nitrazepam [USAN:INN:BAN:JAN]; 1,3-Dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one; 2,3-Dihydro-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-on; 7-Nitro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one; 7-Nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one; 7-Nitro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one; 7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Therapeutic Class
Antianxiety Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Basic Physicochemical Property
EndPoint Value Percentile Histogram
Molecular Weight (MW) 281.27 33%
Number of Atoms (nAtom) 21 40.6%
Number of Heteroatoms (nHet) 6 55.87%
Number of Rings (nRing) 3 64.07%
Number of Rotatable Bonds (nRot) 2 29.59%
Number of Hydrogen Bond Acceptors (HBA) 4 54.46%
Number of Hydrogen Bond Donors (HBD) 1 47.86%
Topological Polar Surface Area (TPSA) 84.6 61.48%
n-Octanol/Water Partition Coefficient (SlogP) 2.38 41.96%

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 NA NA ⓘ
Absorption Lipophilicity & Solubility Solubility -3.8 26.89% ⓘ
Distribution Protein Binding PPB 0.87 45.34% ⓘ
Distribution Tissue Distribution VDss 0.23 59.6% ⓘ
Distribution Tissue Distribution PPBR NA NA ⓘ
Excretion Clearance & Half-life T1/2 26 86.59% ⓘ
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 NA NA ⓘ
Toxicity Acute & Repeated Dose FDAMDD 2.93 78.78% ⓘ
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 PAMPA 1 ● 62.23% ⓘ
Absorption Permeability MDCK NA ● NA ⓘ
Distribution Tissue Distribution BBB 1 ● 69.73% ⓘ
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 CYP3A4 substrate NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2B6 substrate NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2C9 substrate NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2C19 substrate NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2D6 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 0 ● 6.46% ⓘ
Excretion Clearance & Half-life CLr 0 ● 43.38% ⓘ
Excretion Transporters OCT1 inhibitor 0 ● 72.23% ⓘ
Excretion Transporters P-gp inhibitor 0 ● 67.51% ⓘ
Excretion Transporters OATP1B1 inhibitor NA ● NA ⓘ
Excretion Transporters OATP1B3 inhibitor NA ● NA ⓘ
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 MATE1 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) 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 0 ● 76.99% ⓘ
Toxicity Cellular Toxicity MMP 0 ● 83.73% ⓘ
Toxicity Cellular Toxicity Hemolytic toxicity NA ● NA ⓘ
Toxicity Cellular Toxicity Lysosomal toxicity (Phospholipidosis) NA ● NA ⓘ
Toxicity Cytotoxicity RPMI_8226 Immunitoxicity NA ● NA ⓘ
Toxicity Cytotoxicity HEK293 NA ● NA ⓘ
Toxicity Cytotoxicity NIH3T3 NA ● NA ⓘ
Toxicity Cytotoxicity CRL-7250 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 AR 0 ● 88.77% ⓘ
Toxicity Endocrine Disruption ER 0 ● 91.58% ⓘ
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 Endocrine Disruption AR-LBD NA ● NA ⓘ
Toxicity Genotoxicity Ames mutagenesis 0 ● 70.27% ⓘ
Toxicity Genotoxicity Micronucleus NA ● NA ⓘ
Toxicity Organ Toxicity DILI 1 ● 55.48% ⓘ
Toxicity Organ Toxicity Respiratory toxicity 1 ● 89.23% ⓘ
Toxicity Organ Toxicity Nephrotoxicity NA ● NA ⓘ
Toxicity Organ Toxicity Ototoxicity 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 Skin irritation 1 ● 68.36% ⓘ
Toxicity Skin & Eye Toxicity Skin corrosion NA ● NA ⓘ
Toxicity Skin & Eye Toxicity Skin sensitisation NA ● NA ⓘ
Toxicity Skin & Eye Toxicity Acute dermal toxicity NA ● NA ⓘ
Toxicity Skin & Eye Toxicity HaCaT dermatotoxicity NA ● NA ⓘ
Frequency Distribution Histogram
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