Details of the Drug ADMET Endpoint

General Information of Drug (ID: DMB8CNL)

Drug Name
Lindane
Synonyms
Aalindan; Aficide; Agrocide; Agronexit; Ameisenatod; Ameisentod; Aparasin; Aphtiria; Aphtitria; Aplidal; Arbitex; BBH; Benhexachlor; Benhexol; Benzanex; Benzex; Bexol; Celanex; Chloresene; Codechine; Devoran; Dolmix; Entomoxan; Esoderm; Exagama; Forlin; Gallogama; Gamacarbatox; Gamacid; Gamacide; Gamaphex; Gamene; Gamiso; Gammahexa; Gammahexane; Gammalin; Gammasan; Gammaterr; Gammex; Gammexane; Gammopaz; Gamtox; Geobilan; Gexane; Gyben; HCH; Hcch; Heclotox; Hecoltox; Hexa; Hexablanc; Hexachlor; Hexachloran; Hexachlorane; Hexamul; Hexapoudre; Hexatox; Hexaverm; Hexcidum; Hexicide; Hexit; Hexyclan; Hilbeech; Hortex; Inexit; Isatox; Isotox; Jacutin; Kokotine; Kwell; Lasochron; Lendine; Lentox; Lidenal; Lindafor; Lindagam; Lindagrain; Lindagranox; Lindalo; Lindamul; Lindan; Lindano; Lindanum; Lindapoudre; Lindaterra; Lindatox; Lindex; Lindosep; Lintox; Linvur; Lorexane; Mszycol; Nexit; Nicochloran; Novigam; Novigan; Omnitox; Ovadziak; Owadziak; PLK; Pedraczak; Pflanzol; Quellada; Scabene; Silvanol; Streunex; Submar; Viton; Agrocide III; Agrocide WP; Am eisenatod; Arcotal S; BHCor HCH; Borer Spray; DOL GRANULE; Eso derm; Gamma BHC; HCH [BSI]; HCH [ISO]; Hilbeec h; Isot ox; Lacco HI lin; Lindam ul; Mglawik L; New kotol; Nexen fb; PMS Lindane; Sang gamma; Agrocide 2; Agrocide6G; Agrocide 7; Bentox 10; Detox 25; Gamacide 20; Gammalin 20; Geolin G 3; Hungaria L7; Latka 666; Milbol 49; PS71_SUPELCO; TAP 85; Agrisol G-20; Alpha-BHC; Alpha-HCH; Ben-Hex; Beta-BHC; Beta-HCH; Beta-Lindane; Beta-isomer; D-BHC; Delta-BHC; Delta-HCH; ENT 7,796; ENT 8,601; ENT 9,232; ENT 9,233; ENT 9,234; Epsilon-HCH; Forst-nexen; Gamma-BHC; Gamma-HCH; Gamma-col; HCH (alpha); HCH (beta); KWELL (TN); Kwell-R; Nexen-fb; Nexi t-stark; Nexit-stark; Nexol-E; Sang-gamma; T-HCH; TRI-6; Trives-T
Therapeutic Class
Antiscabies Agent
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Basic Physicochemical Property
EndPoint Value Percentile Histogram
Molecular Weight (MW) 290.83 36.28%
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) 0 7.28%
Number of Hydrogen Bond Acceptors (HBA) 0 1%
Number of Hydrogen Bond Donors (HBD) 0 17.5%
Topological Polar Surface Area (TPSA) 0 0.89%
n-Octanol/Water Partition Coefficient (SlogP) 3.64 66.95%

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 -4.64 14.62% ⓘ
Distribution Protein Binding PPB NA NA ⓘ
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 NA NA ⓘ
Toxicity Acute & Repeated Dose Acute oral toxicity 527.45 36.44% ⓘ
Toxicity Acute & Repeated Dose FDAMDD NA NA ⓘ
Toxicity Carcinogenicity Mouse carcinogenicity 1.64 86.57% ⓘ
Toxicity Carcinogenicity Rat carcinogenicity 1.42 74.36% ⓘ
Toxicity Ecotoxicity T. pyriformis toxicity NA NA ⓘ
Toxicity Ecotoxicity BCF 2.93 90.24% ⓘ
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 NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP3A4 inhibitor 0 ● 82.45% ⓘ
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 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 1 ● 93.54% ⓘ
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 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 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 1 ● 33.33% ⓘ
Toxicity Ecotoxicity Crustaceans toxicity 1 ● 37.67% ⓘ
Toxicity Ecotoxicity D. magna toxicity 1 ● 36.15% ⓘ
Toxicity Ecotoxicity Fish toxicity 1 ● 52.08% ⓘ
Toxicity Ecotoxicity Fathead minnow toxicity 1 ● 41.84% ⓘ
Toxicity Ecotoxicity Bluegill sunfish toxicity 1 ● 57.5% ⓘ
Toxicity Ecotoxicity Rainbow trout toxicity 1 ● 65.17% ⓘ
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 Sheepshead minnow toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Biodegradability NA ● NA ⓘ
Toxicity Endocrine Disruption AR 0 ● 88.77% ⓘ
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 ER NA ● NA ⓘ
Toxicity Endocrine Disruption AR-LBD NA ● NA ⓘ
Toxicity Endocrine Disruption ER-LBD NA ● NA ⓘ
Toxicity Genotoxicity Ames mutagenesis 0 ● 70.27% ⓘ
Toxicity Genotoxicity Micronucleus 0 ● 43.8% ⓘ
Toxicity Organ Toxicity DILI 0 ● 44.52% ⓘ
Toxicity Organ Toxicity Respiratory toxicity 0 ● 10.77% ⓘ
Toxicity Organ Toxicity Nephrotoxicity 1 ● 27.09% ⓘ
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 Skin corrosion 0 ● 59.18% ⓘ
Toxicity Skin & Eye Toxicity Skin irritation 0 ● 31.64% ⓘ
Toxicity Skin & Eye Toxicity Eye corrosion NA ● NA ⓘ
Toxicity Skin & Eye Toxicity Eye 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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