Details of the Drug ADMET Endpoint

General Information of Drug (ID: DM4LT8A)

Drug Name
Dapsone
Synonyms
Aczone; Atrisone; Avlosulfon; Avlosulfone; Avlosulphone; Avsulfor; Croysulfone; Croysulphone; DADPS; DDS; Dapson; Dapsona; Dapsonum; Diaminodifenilsulfona; Diaminodiphenylsulfone; Diaphenylsulfon; Diaphenylsulfone; Diaphenylsulphon; Diaphenylsulphone; Diphenasone; Diphone; Disulone; Dubronax; Dubronaz; Dumitone; Eporal; Novophone; Protogen; Sulfadione; Sulfona; Sulfonyldianiline; Sulphadione; Sulphonyldianiline; Tarimyl; Udolac; Araldite HT; D SS; Diaminodifenilsulfona [Spanish]; Diaminodiphenyl sulfone;Fatol Brand of Dapsone; Metabolite C; Orsade Brand of Dapsone; Sulfone ucb; Sumicure S; Araldite HT 976; F 1358; HT 976; HY 976; Hardener HT 976; W R 448; WR 448; ALBB-005917; AZT + Dapsone cominbation; Aczone (TN); DDS (pharmaceutical); DDS, diaphenylsulfone; DDS, pharmaceutical; DSS (VAN); Dapsoderm-X; Dapson-Fatol; Dapsona [INN-Spanish]; Dapsone (USP); Dapsone [USAN:BAN]; Dapsonum [INN-Latin];Diamino-diphenyl sulphone; Diaphenylsulfone (JAN); IN-201; Mex-America Brand of Dapsone; P-Aminophenyl sulfone; Sulfanona-mae; Sulfon-mere; Sulfona-MAE; Sulphon-mere; Bis(4-aminophenyl) sulfone; Bis(4-aminophenyl)sulfone; Bis(4-aminophenyl)sulphone; Bis(p-aminophenyl) sulfone; Bis(p-aminophenyl)sulphone; Di(4-aminophenyl) sulfone; Di(4-aminophenyl)sulfone; Di(4-aminophenyl)sulphone; Di(p-aminophenyl) sulfone; Di(p-aminophenyl)sulphone; P,p-Diaminodiphenyl sulphone; P,p-Sulfonylbisbenzamine; P,p-Sulfonylbisbenzenamine; P,p-Sulphonylbisbenzamine; P,p-Sulphonylbisbenzenamine; P,p-Sulphonyldianiline; N, N'-Diphenyl sulfondiamide; N,N'-Diphenyl sulfondiamide; P, p'-Sulfonyldianiline; P,p'-Diaminodiphenyl sulfone; P,p'-sulfonyldianiline; Diamino-4,4'-diphenyl sulfone; Diamino-4,4'-diphenyl sulphone; Sulfone, 4,4'-Diaminophenyl; (4-sulfanilylphenyl)amine; 1,1'-Sulfonylbis(4-aminobenzene); 1,1'-Sulfonylbis[4-aminobenzene]; 1,1'-Sulphonylbis(4-aminobenzene); 4,4' Diaminophenyl Sulfone; 4,4'-Dapsone; 4,4'-Diaminodiphenyl sulfone; 4,4'-Diaminodiphenyl suphone; 4,4'-Diaminodiphenylsulfone; 4,4'-Sulfonylbisaniline; 4,4'-Sulfonylbisbenzamine; 4,4'-Sulfonylbisbenzenamine; 4,4'-Sulfonyldianiline;4,4'-Sulfonyldianiline (Dapsone); 4,4'-Sulphonylbisbenzamine; 4,4'-Sulphonylbisbenzenamine; 4,4'-Sulphonyldianiline; 4,4'-diaminophenyl sulfone; 4,4-Diaminodifenylsulfon; 4,4-Diaminodifenylsulfon [Czech]; 4,4-Sulfonyldianiline; 4-(4-aminophenyl)sulfonylaniline; 4-Aminop henyl sulfone; 4-Aminophenyl sulfone; 4-Aminophenylsulfone; 4-[(4-aminobenzene)sulfonyl]aniline; 4-[(4-aminophenyl)sulfonyl]aniline
Therapeutic Class
Antiinflammatory Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Basic Physicochemical Property
EndPoint Value Percentile Histogram
Molecular Weight (MW) 248.31 25.14%
Number of Atoms (nAtom) 17 25.91%
Number of Heteroatoms (nHet) 5 44.42%
Number of Rings (nRing) 2 40.13%
Number of Rotatable Bonds (nRot) 2 29.59%
Number of Hydrogen Bond Acceptors (HBA) 4 54.46%
Number of Hydrogen Bond Donors (HBD) 2 73.71%
Topological Polar Surface Area (TPSA) 86.18 62.58%
n-Octanol/Water Partition Coefficient (SlogP) 1.68 31.29%

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 0.88 24% ⓘ
Absorption Lipophilicity & Solubility Solubility -3.09 38.86% ⓘ
Distribution Protein Binding PPB 0.75 36.24% ⓘ
Distribution Tissue Distribution VDss -0.08 40.32% ⓘ
Distribution Tissue Distribution PPBR NA NA ⓘ
Excretion Clearance & Half-life T1/2 22 83.4% ⓘ
Excretion Clearance & Half-life MRT 29 88.96% ⓘ
Excretion Clearance & Half-life logCL(ml/min/k) -0.32 4.7% ⓘ
Excretion Clearance & Half-life Clearance NA NA ⓘ
Toxicity Acute & Repeated Dose Acute oral toxicity NA NA ⓘ
Toxicity Acute & Repeated Dose FDAMDD 1.7 43.5% ⓘ
Toxicity Carcinogenicity Mouse carcinogenicity NA NA ⓘ
Toxicity Carcinogenicity Rat carcinogenicity 1.05 67.95% ⓘ
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 Bioavailability 1 ● 77.47% ⓘ
Absorption Oral Bioavailability F50% NA ● NA ⓘ
Absorption Oral Bioavailability F30% NA ● NA ⓘ
Absorption Oral Bioavailability F20% NA ● NA ⓘ
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 CYP1A2 inhibitor 0 ● 60.67% ⓘ
Metabolism CYP450 Enzymes CYP3A4 inhibitor 1 ● 17.55% ⓘ
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 CYP2C19 substrate 1 ● 61.97% ⓘ
Metabolism CYP450 Enzymes CYP2D6 substrate 1 ● 33.46% ⓘ
Metabolism CYP450 Enzymes CYP2C9i inhibitor 0 ● 80.43% ⓘ
Metabolism CYP450 Enzymes CYP2B6 inhibitor NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP1A2 substrate NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2B6 substrate NA ● NA ⓘ
Metabolism Hepatic Stability UGT substrate 0 ● 59.48% ⓘ
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 OCT1 inhibitor 0 ● 72.23% ⓘ
Excretion Transporters BCRP inhibitor 0 ● 53.69% ⓘ
Excretion Transporters MATE1 inhibitor 0 ● 90.91% ⓘ
Excretion Transporters OATP2B1 inhibitor NA ● NA ⓘ
Excretion Transporters OCT2 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 0 ● 46.58% ⓘ
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 Hemolytic toxicity 1 ● 67.27% ⓘ
Toxicity Cellular Toxicity MMP 0 ● 83.73% ⓘ
Toxicity Cellular Toxicity Lysosomal toxicity (Phospholipidosis) 0 ● 76.92% ⓘ
Toxicity Cellular Toxicity Mitochondrial toxicity NA ● NA ⓘ
Toxicity Cytotoxicity RPMI_8226 Immunitoxicity 0 ● 62.61% ⓘ
Toxicity Cytotoxicity HEK293 0 ● 86.03% ⓘ
Toxicity Cytotoxicity NIH3T3 0 ● 87.72% ⓘ
Toxicity Cytotoxicity CRL-7250 0 ● 89.65% ⓘ
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 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 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 Ototoxicity 1 ● 62.27% ⓘ
Toxicity Organ Toxicity Nephrotoxicity NA ● NA ⓘ
Toxicity Photoinduced Toxicity Photoinduced toxicity 1 ● 44.75% ⓘ
Toxicity Photoinduced Toxicity Phototoxicity 0 ● 59.56% ⓘ
Toxicity Photoinduced Toxicity Photoallergy 1 ● 41.65% ⓘ
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 sensitisation 0 ● 65.38% ⓘ
Toxicity Skin & Eye Toxicity Acute dermal toxicity 1 ● 56.99% ⓘ
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 ⓘ
Frequency Distribution Histogram
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