e-Drug3D

526

TIOCONAZOLE

INN
TIOCONAZOLE

cas 65899-73-2

CLASS

DERMATOLOGICALS
ANTIFUNGAL
LOCAL TREATMENT OF VULVOVAGINAL CANDIDIASIS (MONILIASIS)

ROUTE (list)

TOPICAL VAGINAL

ATC code

D01AC07
G01AF08

PK parameters

Target

TARGET CYTOCHROME P450 51

PDB
7LYX (CRYSTAL STRUCTURE OF HUMAN CYP8B1 IN COMPLEX WITH (S)-TIOCONAZOLE)

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

Download experimental 3D coordinates of YHM with added hydrogens

DrugCentral

Lanosterol 14-alpha demethylase UNIPROT P10613 ERG11

Download SDF file

1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

Formula:
C16H13Cl3N2OS

Calculated chemical properties:

MW 387.70
NB_atoms 23
XLogP 5.86
PSA 21.463
NB_HD 0
NB_HA 3
fsp3 0.19
Lipinski(0=no;1=yes) 0

FDA
NDA 018682 (pdf not found) INN (TIOCONAZOLE) TZ-3 (PFIZER) APPROVAL= AP YEAR= 1983 NEWMOLECULARENTITY DISCONTINUED
NDA 020676 (pdf not found) INN (TIOCONAZOLE) VAGISTAT-1 (COMBE) APPROVAL= AP YEAR= 1997
NDA 075915 (pdf not found) INN (TIOCONAZOLE) TIOCONAZOLE (PERRIGO) APPROVAL= AP YEAR= 2001