General Information of Drug (ID: DMLKSE0)

Drug Name
Hexachlorophene
Synonyms
Acigena; Almederm; Armohex; Bilevon; Bivelon; Cotofilm; Dermadex; Distodin; Eleven; Esaclorofene; Exofene; Fascol; Fomac; Fostril; Gamophen; Gamophene; Hexabalm; Hexachlorofen; Hexachlorophane; Hexachlorophen; Hexachlorophenum; Hexaclorofeno; Hexafen; Hexascrub; Hexide; Hexophene; Hexosan; Isobac; Nabac; PHisoHex; Phisodan; Ritosept; Septisol; Septofen; Steral; Steraskin; Surofene; TRICHLOROPHENE; Tersaseptic; Trisophen; Turgex; Blockade Anti Bacterial Finish; Brevity Blue Liquid Bacteriostatic Scouring Cream; Brevity Blue Liquid Sanitizing Scouring Cream; Enditch Pet Shampoo; Esaclorofene [DCIT]; Fo stril; Hexachlorofen [Czech]; Hexachlorophene [INN]; Hilo Cat Flea Powder; Hilo Flea Powder; Neosept V; Pedigree Dog Shampoo Bar; Scrubteam Surgical Spongebrush; Staphene O; AT 7; B 32; H3P; Hexachlorophene [UN2875] [Poison]; KUC106447N; M0219; Nabac 25 ec; AT-7; AT17 (TN); AT7 (TN); Acigena (TN); Almederm (TN); At-17; B & b Flea Kontroller for Dogs Only; B 32 (VAN); Bilevon (TN); E-Z Scrub; En-Viron D Concentrated Phenolic Disinfectant; Exofene (TN); Fesia-sin; Fostril (TN); G-11; G-Eleven; G-II; Gamophen (TN); Germa-Medica; Hexa-Germ; Hexachlorophene, Pharma; Hexachlorophenum [INN-Latin]; Hexaclorofeno [INN-Spanish]; Hexaphene-LV; Hexosan (TN); PRE-OP II; Phiso-Scrub; Phisohex(TN); Pre-Op; Septi-Soft; Septisol (TN); Solu-Heks; Soy-dome; Ster-zac; Surgi-Cen; Surgi-Cin; Surofene (TN); Thera-Groom Pet Shampoo for Dogs for Veterinary Use Only; G-11 (TN); GERMA-MEDICA (MG); Germa-Medica (TN); Hexachlorophene (USP/INN); KSC-19-051; Methylenebis(3,4,6-trichlorophenol); Bis(2,3,5-tric hloro-6-hydroxyphenyl)methane; Bis(2,3,5-trichloro-6-hydroxyphenyl)methane; Bis(2-hydroxy-3,5,6-trichlorophenyl)methane; Bis(3,5,6-trichloro-2-hydroxyphenyl)methane; Bis-2,3,5-trichlor-6-hydroxyfenylmethan; Bis-2,3,5-trichloro-6-hydroxyfenylmethan; Bis-2,3,5-trichloro-6-hydroxyfenylmethan [Czech]; Bis(3,5,6-trichloro-2-hydroxyphenyl)-methane; Methane, bis(2,3,5-trichloro-6-hydroxyphenyl); 2,2',3,3',5,5'-Hexachloro-6,6'-dihydroxydiphenylmethane; 2,2'-Dihydroxy-3,5,6,3',5',6'-hexachlorodiphenylmethane; 2,2'-Methylene bis(3,4,6-trichlorophenol); 2,2'-Methylenebis(3,4,6-trichlorophenol); 2,2'-Methylenebis[3,4,6-trichlorophenol]; 2,2'-methanediylbis(3,4,6-trichlorophenol); 2,2-Methylene-bis-[3,4,6-trichlorophenol]; 3,3',5,5',6,6'-Hexachloro-2,2'-dihydroxydiphenylmethane; 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol
Therapeutic Class
Antiinfective Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Basic Physicochemical Property
EndPoint Value Percentile Histogram
Molecular Weight (MW) 406.91 68.77%
Number of Atoms (nAtom) 21 40.6%
Number of Heteroatoms (nHet) 8 74.78%
Number of Rings (nRing) 2 40.13%
Number of Rotatable Bonds (nRot) 2 29.59%
Number of Hydrogen Bond Acceptors (HBA) 2 21.65%
Number of Hydrogen Bond Donors (HBD) 2 73.71%
Topological Polar Surface Area (TPSA) 40.46 20.26%
n-Octanol/Water Partition Coefficient (SlogP) 6.61 97.07%

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 -3.46 33.56% ⓘ
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 55.62 7.94% ⓘ
Toxicity Acute & Repeated Dose FDAMDD NA NA ⓘ
Toxicity Carcinogenicity Mouse carcinogenicity NA NA ⓘ
Toxicity Carcinogenicity Rat carcinogenicity NA NA ⓘ
Toxicity Ecotoxicity T. pyriformis toxicity NA NA ⓘ
Toxicity Ecotoxicity BCF 2.18 75.61% ⓘ
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 PAMPA 0 ● 37.77% ⓘ
Absorption Permeability HIA NA ● NA ⓘ
Absorption Permeability MDCK NA ● NA ⓘ
Distribution Tissue Distribution BBB NA ● NA ⓘ
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 1 ● 93.54% ⓘ
Excretion Clearance & Half-life CLr NA ● NA ⓘ
Excretion Transporters OATP1B1 inhibitor 0 ● 9.29% ⓘ
Excretion Transporters OATP1B3 inhibitor 0 ● 6.41% ⓘ
Excretion Transporters OCT1 inhibitor 0 ● 72.23% ⓘ
Excretion Transporters MATE1 inhibitor 1 ● 9.09% ⓘ
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 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 0 ● 62.9% ⓘ
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 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 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 Sheepshead minnow toxicity NA ● NA ⓘ
Toxicity Endocrine Disruption AR 0 ● 88.77% ⓘ
Toxicity Endocrine Disruption ER-LBD 1 ● 12.59% ⓘ
Toxicity Endocrine Disruption AhR 0 ● 90.08% ⓘ
Toxicity Endocrine Disruption ARE 1 ● 19.11% ⓘ
Toxicity Endocrine Disruption ATAD5 0 ● 94.42% ⓘ
Toxicity Endocrine Disruption HSE 1 ● 5.22% ⓘ
Toxicity Endocrine Disruption p53 1 ● 8.77% ⓘ
Toxicity Endocrine Disruption TR 1 ● 9.11% ⓘ
Toxicity Endocrine Disruption ER NA ● NA ⓘ
Toxicity Endocrine Disruption AR-LBD NA ● NA ⓘ
Toxicity Endocrine Disruption Aromatase NA ● NA ⓘ
Toxicity Endocrine Disruption PPAR-γ NA ● NA ⓘ
Toxicity Endocrine Disruption GR NA ● NA ⓘ
Toxicity Genotoxicity Ames mutagenesis 0 ● 70.27% ⓘ
Toxicity Genotoxicity Micronucleus NA ● NA ⓘ
Toxicity Organ Toxicity DILI 1 ● 55.48% ⓘ
Toxicity Organ Toxicity Nephrotoxicity 0 ● 72.91% ⓘ
Toxicity Organ Toxicity Respiratory toxicity NA ● NA ⓘ
Toxicity Organ Toxicity Ototoxicity NA ● NA ⓘ
Toxicity Photoinduced Toxicity Photoinduced toxicity 1 ● 44.75% ⓘ
Toxicity Photoinduced Toxicity Phototoxicity 1 ● 40.44% ⓘ
Toxicity Photoinduced Toxicity Photoallergy 1 ● 41.65% ⓘ
Toxicity Reproductive Toxicity Reproductive toxicity NA ● NA ⓘ
Toxicity Skin & Eye Toxicity Eye corrosion NA ● NA ⓘ
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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