Details of the Drug ADMET Endpoint

General Information of Drug (ID: DMHM93Y)

Drug Name
Meprobamate
Synonyms
meprobamate; Meprospan; Meprobamat; Equanil; Miltown; Amepromat; Meprocompren; Meproban; Tranmep; Meprobam; Dapaz; Metractyl; Meprotabs; Meprosin; Meprodil; Mepiosine; Libiolan; Crestanil; Calmiren; Ayeramate; Andaksin; Anatimon; Anathylmon; Holbamate; Despasmol; Cirponyl; Biobamat; Neuramate; Metranquil; Meprocon; Mepantin; Lepetown; Ipsotian; Equilium; Equatrate; Carbaxin; Biobamate; Ansiatan; Anastress; Miltamato; Meprotil; Meprotan; Meprosan; Meproleaf; Meprindon; Mepranil; Mepavlon; Margonil; Harmonin; Dicandiol; Calmadin; Auxietil; Anxietil; Ansiowas; Amepromat; Amosene; Andaxin; Aneural; Aneurol; Aneusral; Aneuxal; Aneuxral; Ansietan; Ansil; Anural; Anzil; Apascil; Apasil; Appetrol; Arcoban; Arpon; Artolon; Ataraxine; Atraxin; Ayermate; Bamate; Brobamate; Calmax; Cirpon; Coprobate; Cypron; Cyrpon; Deprol; Diron; Diurnal; Diurnaldiverondormabrol; Diveron; Dormabrol; Ecuanil; Edenal; Enorden; Epicur; Epikur; Equinil; Equitar; Erina; Estasil; Gadexyl; Gagexyl; Hartol; Kessobamate; Klort; Larten; Lepenil; Letyl; Mendel; Mepamtin; Meposed; Mepriam; Meprin; Meprobamato; Meprobamatum; Meprodiol; Meprol; Meprosa; Meprotanum; Meproten; Meprovan; Meprovanmeprozine; Meprozine; Meptran; Meptranactylmilprem; Micrainin; Milpath; Milprem; Miltann; Miltaun; Miltuan; Miltwon; Misedant; Morbam; Multaun; Nephentine; Nervonus; Oasil; Optarket;Orlevol; Orolevol; Pancalma; Panediol; Pankalma; Pathibamate; Paxin; Pensive; Perequietil; Perequil; Perquietil; Pertranquil; Pimal; Placidon; Placitate; Prequil; Probamato; Probamyl; Probate; Procalmadiol; Procalmadol; Procalmidol; Procarbamide; Promate; Promato; Proquanil; Protran; Quaname; Quanane; Quanil; Quietidon; Quivet; Rastenil; Reostral; Restenil; Restenyl; Restinal; Restinil; Robamate;Sadanyl; Scolazil; Sedabamate; Sedanil; Sedanyl; Sedazil; Sedoquil; Sedoselecta; Selene; Seril; Setran; Shalvaton; Sowell; Spantran; Stensolo; Tamate; Tensol; Tensonal; Trancot; Trankvilan; Tranlisant; Tranquilan; Tranquilate; Tranquilax; Tranquiline; Tranquilsan; Tranquinol; Trelmar; Urbil; Urbilat; Vistabamate; Wardamate; Wyseals; Zirpon; Component of Appetrol; Component of Bamadex; Component of Equalysen; Component of Milpath; Component of Milprem; Component of Miltrate; Equanil suspension; Meprobamat [German]; Meprobamate and Aspirin Tablets; Meprobamato [Italian]; Meprobamic acid; Meprocon CMC; Solevione anastress; Bamd 400; Bamo 400; Canquil 400; Miltown 600; PMB 200; PMB 400; Apo-Meprobamate; Appetrol-Sr; Canquil-400; Component of PMB-400; Equanil (TN); Equazine-M; Fas-Cile; Fas-Cile 200; Kesso-Bamate; Mar-Bate; Meprin (VAN); Mepro-Aspirin; Mepro-analgesic; Meprobamato [INN-Spanish]; Meprobamatum [INN-Latin]; Meprospan (TN); Meprospan-200; Meprospan-400; Milprem-200; Milprem-400; Miltown (TN); My-trans; Neo-Tran; PMB-200; PMB-400; Pan-tranquil; Q-Gesic; SK-Bamate; Tranquiline (Intra); Vio-Bamate; Cap-O-Tran; Carbamic acid 2-methyl-2-propyltrimethylene ester; Meprobamate (JAN/USP/INN); Meprobamate [USAN:INN:BAN:JAN]; Carbamic acid, 2-methyl-2-propyltrimethylene ester; [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate; {2-[(carbamoyloxy)methyl]-2-methylpentyl} carbamate; 1,3-Propanediol, 2-methyl-2-propyl-, 1,3-dicarbamate; 1,3-Propanediol, 2-methyl-2-propyl-, dicarbamate; 2,2-Di(carbamoyloxymethyl)pentane; 2-Methyl-2-n-propyl-1,3-propanediol dicarbamate; 2-Methyl-2-propyl-1,3-propanediol dicarbamate; 2-Methyl-2-propylpropane-1,3-diol dicarbamate; 2-Methyl-2-propyltrimethylene carbamate; 2-Metil-2-n-propil-1,3-propanediol dicarbamato; 2-Metil-2-n-propil-1,3-propanediol dicarbamato [Spanish]; 2-[(carbamoyloxy)methyl]-2-methylpentyl carbamate; 3P Bamate; KAI-1455
Therapeutic Class
Antianxiety Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Basic Physicochemical Property
EndPoint Value Percentile Histogram
Molecular Weight (MW) 218.25 18.46%
Number of Atoms (nAtom) 15 19.63%
Number of Heteroatoms (nHet) 6 55.87%
Number of Rings (nRing) 0 8.07%
Number of Rotatable Bonds (nRot) 6 73.62%
Number of Hydrogen Bond Acceptors (HBA) 4 54.46%
Number of Hydrogen Bond Donors (HBD) 2 73.71%
Topological Polar Surface Area (TPSA) 104.64 76.33%
n-Octanol/Water Partition Coefficient (SlogP) 0.98 22.69%

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 -1.74 63.2% ⓘ
Distribution Protein Binding PPB 0 2.69% ⓘ
Distribution Tissue Distribution VDss -0.15 35.84% ⓘ
Distribution Tissue Distribution PPBR NA NA ⓘ
Excretion Clearance & Half-life T1/2 14 74.44% ⓘ
Excretion Clearance & Half-life MRT 19 84.22% ⓘ
Excretion Clearance & Half-life logCL(ml/min/k) -0.22 6.58% ⓘ
Excretion Clearance & Half-life Clearance NA NA ⓘ
Toxicity Acute & Repeated Dose Acute oral toxicity NA NA ⓘ
Toxicity Acute & Repeated Dose FDAMDD 0.74 15.14% ⓘ
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% NA ● NA ⓘ
Absorption Oral Bioavailability F30% NA ● NA ⓘ
Absorption Oral Bioavailability F20% NA ● NA ⓘ
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 CYP3A4 inhibitor 0 ● 82.45% ⓘ
Metabolism CYP450 Enzymes CYP2C19 substrate 1 ● 61.97% ⓘ
Metabolism CYP450 Enzymes CYP1A2 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 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 NA ● NA ⓘ
Excretion Transporters P-gp inhibitor 0 ● 67.51% ⓘ
Excretion Transporters P-gp substrate 0 ● 54.14% ⓘ
Excretion Transporters OATP1B1 inhibitor NA ● NA ⓘ
Excretion Transporters OATP1B3 inhibitor NA ● NA ⓘ
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 ⓘ
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 Biodegradability 0 ● 46.67% ⓘ
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 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 NA ● NA ⓘ
Toxicity Genotoxicity Micronucleus NA ● NA ⓘ
Toxicity Organ Toxicity DILI 0 ● 44.52% ⓘ
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 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 ⓘ
Toxicity Skin & Eye Toxicity HaCaT dermatotoxicity NA ● NA ⓘ
Frequency Distribution Histogram
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