e-Drug3D

702
TRICLOSAN

DISCONTINUED


INN
TRICLOSAN
cas 3380-34-5
CLASS

DERMATOLOGICALS
ANTIINFECTIVE
ROUTE (list)

DENTAL

NATURAL MOLECULE (link)

ATC code

D08AE04
D09AA06
PK parameters

 Target

TARGET ENOYL REDUCTASE

PDB
1QG6 (CRYSTAL STRUCTURE OF E. COLI ENOYL ACYL CARRIER PROTEIN REDUCTASE IN COMPLEX WITH NAD AND TRICLOSAN)

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

Download experimental 3D coordinates of TCL with added hydrogens

 DrugCentral

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

 Download SDF file 2,2'-Oxybis(1',5'-dichlorophenyl-5-chlorophenol)

Formula:
C12H7Cl3O2

Calculated chemical properties:

MW 289.53
NB_atoms 17
XLogP 5.14
PSA 31.183
NB_HD 1
NB_HA 2
fsp3 0.00
Lipinski(0=no;1=yes) 0

FDA
NDA 020231 (label) INN (SODIUM FLUORIDE ; TRICLOSAN) COLGATE TOTAL (COLGATE PALMOLIVE) APPROVAL= AP YEAR= 1997 DISCONTINUED

 Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL