e-Drug3D

53

HEXACHLOROPHENE


INN
HEXACHLOROPHENE

cas 70-30-4
CLASS

DERMATOLOGICALS
ANTI-INFECTIVE
DETERGENT
USE AS A SURGICAL SCRUB
BACTERIOSTATIC CLEANSING AGENT

ROUTE (list)

TOPICAL

ATC code

D08AE01

PK parameters

Target

TARGET ENOYL-ACYL CARRIER PROTEIN REDUCTASE (FABI) (PMID10671494)

PDB
3ETE (CRYSTAL STRUCTURE OF BOVINE GLUTAMATE DEHYDROGENASE COMPLEXED WITH HEXACHLOROPHENE)

Ligand code = H3P (link to the list of PDB complexes)

Download experimental 3D coordinates of H3P with added hydrogens

DrugCentral

Enoyl-acyl-carrier-protein reductase NADH FabI UNIPROT P0AEK4 fabI

Download SDF file 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol

Formula:
C13H6Cl6O2

Calculated chemical properties:

MW 406.88
NB_atoms 21
XLogP 6.61
PSA 31.255
NB_HD 2
NB_HA 2
fsp3 0.08
Lipinski(0=no;1=yes) 0

FDA
NDA 008402 (pdf not found) INN (HEXACHLOROPHENE) PHISOHEX (SANOFI AVENTIS US) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 017405 (pdf not found) INN (HEXACHLOROPHENE) SOY-DOME (BAYER PHARMS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 017423 (pdf not found) INN (HEXACHLOROPHENE) SEPTISOL (VESTAL LABS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 017424 (pdf not found) INN (HEXACHLOROPHENE) SEPTISOL (VESTAL LABS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 017460 (pdf not found) INN (HEXACHLOROPHENE) SEPTI-SOFT (CALGON) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 018363 (pdf not found) INN (HEXACHLOROPHENE) HEXASCRUB (PROF DSPLS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 018375 (pdf not found) INN (HEXACHLOROPHENE) TURGEX (XTTRIUM) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 019055 (pdf not found) INN (HEXACHLOROPHENE) TURGEX (XTTRIUM) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 006882 (pdf not found) INN (HEXACHLOROPHENE) PHISOHEX (SANOFI AVENTIS US) APPROVAL= AP YEAR= 1949 DISCONTINUED
NDA 017411 (pdf not found) INN (HEXACHLOROPHENE) HEXA-GERM (HUNTINGTON LABS) APPROVAL= AP YEAR= 1974 DISCONTINUED
NDA 017421 (pdf not found) INN (HEXACHLOROPHENE) DIAL (DIAL) APPROVAL= AP YEAR= 1976 DISCONTINUED
NDA 017452 (pdf not found) INN (HEXACHLOROPHENE) E-Z SCRUB (BECTON DICKINSON) APPROVAL= AP YEAR= 1976 DISCONTINUED
NDA 017413 (pdf not found) INN (HEXACHLOROPHENE) SCRUBTEAM SURGICAL SPONGEBRUSH (3M) APPROVAL= AP YEAR= 1977 DISCONTINUED
NDA 017446 (pdf not found) INN (HEXACHLOROPHENE) PHISO-SCRUB (SANOFI AVENTIS US) APPROVAL= AP YEAR= 1977 DISCONTINUED
NDA 006270 (pdf not found) INN (HEXACHLOROPHENE) GAMOPHEN (ARBROOK) APPROVAL= AP YEAR= 1978 DISCONTINUED
NDA 017412 (pdf not found) INN (HEXACHLOROPHENE) GERMA-MEDICA (HUNTINGTON LABS) APPROVAL= AP YEAR= 1978 DISCONTINUED
NDA 017433 (pdf not found) INN (HEXACHLOROPHENE) PRE-OP (DAVIS AND GECK) APPROVAL= AP YEAR= 1978

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL