Details of the Drug ADMET Endpoint

General Information of Drug (ID: DMAYL0T)

Drug Name
Phenylbutazone
Synonyms
Alindor; Alkabutazona; Alqoverin; Anerval; Anpuzone; Antadol; Anuspiramin; Arthrizon; Artizin; Artrizin; Artrizone; Artropan; Azdid; Azobutyl; Azolid; Benzone; Betazed; Bizolin; Bunetzone; Busone; Butacompren; Butacote; Butadion; Butadiona; Butadione; Butadionum; Butagesic; Butalgina; Butalidon; Butaluy; Butaphen; Butapirazol; Butapirazole; Butapyrazole; Butarecbon; Butartril; Butartrina; Butatron; Butazina; Butazolidin; Butazolidine; Butazona; Bute; Butidiona; Butone; Butoz; Butylpyrin; Buvetzone; Buzon;Chembutazone; Cotylbutazone; Digibutina; Diossidone; Diozol; Diphebuzol; Diphenylbutazone; Ecobutazone; Elmedal; Equipalazone; Equiphen; Eributazone; Esteve; Febuzina; Fenartil; Fenibutal; Fenibutasan; Fenibutazona; Fenibutol; Fenilbutazon; Fenilbutazona; Fenilbutazone; Fenilbutina; Fenilbutine; Fenilidina; Fenotone; Fenylbutazon; Flexazone; Intalbut; Intrabutazone; Intrazone; Ipsoflame; Kadol; Lingel; Malgesic; Mephabutazon; Mephabutazone; Merizone; Nadazone; Nadozone; Novophenyl; Phebuzin; Phebuzine; Phenbutazol; Phenbutazone; Phenopyrine; Phenylbutaz; Phenylbutazon; Phenylbutazonum; Phenyzene; Phenyzone; Praecirheumin; Pyrabutol; Pyrazolidin; Rectofasa; Reudo; Reudox; Reumasyl; Reumazin; Reumazol; Reumune; Reumuzol; Reupolar; Robizone; Rubatone; Scanbutazone; Schemergen; Schemergin; Shigrodin; Tazone; Tencodyne; Tetnor; Tevcodyne; Therazone; Ticinil; Todalgil; Uzone; Wescozone; Zolaphen; Zolidinum; Alka Butazolidin; Art rizin; Buta phen; Butyl pyrin; Equi bute; Exrheudon N; Fe nilbutine; Fenilbutazone [DCIT]; Phenyl butazone; Phenylbutazon [German]; Pirarreumol B; A 7514; Bizolin 200; G 13871; P 8386; P1686; P1Z; AZOLID (TN); Apo-Phenylbutazone; Butiwas-Simple; Component of Azolid-A; DA-192; Fenilbutazona [INN-Spanish]; G 13,871; Ia-But; Mepha-Butazon; Neo-zoline; Phenyl-Mobuzon; Phenylbutazonum [INN-Latin]; Robizon-V; Robizone-V; Usaf ge-15; VAC-10; B.T.Z; Phen-Buta-Vet; R-3-ZON; B.t.z.; Bute, Butazolidin, Butatron, Phenylbutazone; Phenylbutazone (JP15/USP/INN); Phenylbutazone [USAN:INN:BAN:JAN]; 1,2-Diphenyl-2,3-dioxo-4-N-butylpyrazoline; 1,2-Diphenyl-3,5-dioxo-4-butylpyrazolidine; 1,2-Diphenyl-4-butyl-3,5-dioxopyrazolidine; 1,2-Diphenyl-4-butyl-3,5-pyrazolidinedione; 1,2-diphenyl-3,5-dioxo-4-n-butylpyrazoline; 3,5-Dioxe-4 buty-1, diphenyl-pyrazolidine; 3,5-Dioxo-1,2-diphenyl-4-N-butylpyrazolidine; 3,5-Dioxo-1,2-diphenyl-4-n-butyl-pyrazolidin; 3,5-dioxo-4-butyl-1-diphenyl-pyrazolidine; 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE; 4-Butyl-1,2-diphenyl-3,5-dioxopyrazolidine; 4-Butyl-1,2-diphenyl-3,5-pyrazolidinedione; 4-Butyl-1,2-diphenylpyrazolidine-3,5-dione; 4-n-Butyl-1,2-diphenyl-3,5-pyrazolidinedione
Therapeutic Class
Analgesics
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Basic Physicochemical Property
EndPoint Value Percentile Histogram
Molecular Weight (MW) 308.38 41.45%
Number of Atoms (nAtom) 23 49%
Number of Heteroatoms (nHet) 4 32.38%
Number of Rings (nRing) 3 64.07%
Number of Rotatable Bonds (nRot) 5 64.02%
Number of Hydrogen Bond Acceptors (HBA) 2 21.65%
Number of Hydrogen Bond Donors (HBD) 0 17.5%
Topological Polar Surface Area (TPSA) 40.62 20.56%
n-Octanol/Water Partition Coefficient (SlogP) 3.79 69.62%

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 0.45 16% ⓘ
Absorption Lipophilicity & Solubility Solubility -3.81 26.5% ⓘ
Distribution Protein Binding PPB 0.99 82.02% ⓘ
Distribution Tissue Distribution VDss NA NA ⓘ
Distribution Tissue Distribution PPBR NA NA ⓘ
Excretion Clearance & Half-life T1/2 NA NA ⓘ
Excretion Clearance & Half-life MRT NA NA ⓘ
Excretion Clearance & Half-life logCL(ml/min/k) NA NA ⓘ
Excretion Clearance & Half-life Clearance 8.71 34.39% ⓘ
Toxicity Acute & Repeated Dose Acute oral toxicity 244.77 21.69% ⓘ
Toxicity Acute & Repeated Dose FDAMDD 1.49 36.14% ⓘ
Toxicity Carcinogenicity Mouse carcinogenicity -0.06 38.81% ⓘ
Toxicity Carcinogenicity Rat carcinogenicity -0.58 16.67% ⓘ
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 PAMPA 1 ● 62.23% ⓘ
Absorption Permeability HIA NA ● NA ⓘ
Absorption Permeability MDCK NA ● NA ⓘ
Distribution Tissue Distribution BBB 1 ● 69.73% ⓘ
Metabolism CYP450 Enzymes CYP3A4 inhibitor 0 ● 82.45% ⓘ
Metabolism CYP450 Enzymes CYP2C19 inhibitor 0 ● 78.08% ⓘ
Metabolism CYP450 Enzymes CYP2D6 inhibitor 0 ● 70.02% ⓘ
Metabolism CYP450 Enzymes CYP3A4 substrate 0 ● 44.3% ⓘ
Metabolism CYP450 Enzymes CYP2C9 substrate 1 ● 32.93% ⓘ
Metabolism CYP450 Enzymes CYP2D6 substrate 0 ● 66.54% ⓘ
Metabolism CYP450 Enzymes CYP1A2 inhibitor NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2B6 inhibitor NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2C9 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 1 ● 93.54% ⓘ
Excretion Clearance & Half-life CLr NA ● NA ⓘ
Excretion Transporters OATP1B1 inhibitor 1 ● 90.71% ⓘ
Excretion Transporters OATP1B3 inhibitor 1 ● 93.59% ⓘ
Excretion Transporters OATP2B1 inhibitor 0 ● 80.15% ⓘ
Excretion Transporters OCT1 inhibitor 0 ● 72.23% ⓘ
Excretion Transporters MATE1 inhibitor 0 ● 90.91% ⓘ
Excretion Transporters OCT2 inhibitor NA ● NA ⓘ
Excretion Transporters BCRP inhibitor NA ● NA ⓘ
Excretion Transporters BSEP inhibitor NA ● NA ⓘ
Excretion Transporters P-gp 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 1 ● 16.27% ⓘ
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 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 PPAR-γ 0 ● 90.88% ⓘ
Toxicity Endocrine Disruption TR 0 ● 90.89% ⓘ
Toxicity Endocrine Disruption GR 0 ● 89.37% ⓘ
Toxicity Endocrine Disruption p53 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 1 ● 27.09% ⓘ
Toxicity Organ Toxicity Ototoxicity NA ● NA ⓘ
Toxicity Photoinduced Toxicity Photoinduced toxicity 1 ● 44.75% ⓘ
Toxicity Photoinduced Toxicity Photoallergy 1 ● 41.65% ⓘ
Toxicity Photoinduced Toxicity Phototoxicity NA ● NA ⓘ
Toxicity Reproductive Toxicity Reproductive toxicity 1 ● 77.82% ⓘ
Toxicity Skin & Eye Toxicity Eye corrosion 0 ● 93.33% ⓘ
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 ⓘ
Toxicity Skin & Eye Toxicity HaCaT dermatotoxicity NA ● NA ⓘ
Frequency Distribution Histogram
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