Details of the Drug

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
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Approved [1]
Therapeutic Class
Antiinfective Agents
Affected Organisms
Enteric bacteria and other eubacteria
ATC Code
: Hexachlorophene
D08AD: Boric acid products
D08A: ANTISEPTICS AND DISINFECTANTS
D08: ANTISEPTICS AND DISINFECTANTS
D: DERMATOLOGICALS
D08AE01: Hexachlorophene
D08AE: Phenol and derivatives
D08A: ANTISEPTICS AND DISINFECTANTS
D08: ANTISEPTICS AND DISINFECTANTS
D: DERMATOLOGICALS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 406.9
Logarithm of the Partition Coefficient (xlogp) 7.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C13H6Cl6O2
IUPAC Name
3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol
Canonical SMILES
C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl
InChI
InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
InChIKey
ACGUYXCXAPNIKK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3598
ChEBI ID
CHEMBL496
CAS Number
70-30-4
UNII
IWW5FV6NK2
DrugBank ID
DB00756
TTD ID
D0ZX2G
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasmodium Glutamate dehydrogenase (Malaria gdh) TTAO7YK Q9NGT0_PLAFA Inhibitor [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1 (HSD3B1) OTNAZVKB 3BHS1_HUMAN Gene/Protein Processing [3]
Catenin beta-1 (CTNNB1) OTZ932A3 CTNB1_HUMAN Protein Interaction/Cellular Processes [4]
DNA damage-inducible transcript 3 protein (DDIT3) OTI8YKKE DDIT3_HUMAN Gene/Protein Processing [5]
E3 ubiquitin-protein ligase SIAH1 (SIAH1) OT29A838 SIAH1_HUMAN Gene/Protein Processing [4]
kinase isozyme 4, mitochondrial (PDK4) OTCMHMBZ PDK4_HUMAN Gene/Protein Processing [5]
Myc proto-oncogene protein (MYC) OTPV5LUK MYC_HUMAN Gene/Protein Processing [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 017452.
2 Novel inhibitors complexed with glutamate dehydrogenase: allosteric regulation by control of protein dynamics. J Biol Chem. 2009 Aug 21;284(34):22988-3000.
3 The analysis of pesticides and fungicides in the inhibition of human and rat placental 3-hydroxysteroid dehydrogenase activity: Mode of inhibition and mechanism. Toxicol Lett. 2023 Apr 15;379:76-86. doi: 10.1016/j.toxlet.2023.03.002. Epub 2023 Mar 24.
4 Hexachlorophene inhibits Wnt/beta-catenin pathway by promoting Siah-mediated beta-catenin degradation. Mol Pharmacol. 2006 Sep;70(3):960-6. doi: 10.1124/mol.106.024729. Epub 2006 May 30.
5 The MT1G Gene in LUHMES Neurons Is a Sensitive Biomarker of Neurotoxicity. Neurotox Res. 2020 Dec;38(4):967-978. doi: 10.1007/s12640-020-00272-3. Epub 2020 Sep 1.