e-Drug3D

1294

SERTACONAZOLE

INN
SERTACONAZOLE

cas 99592-32-2

CLASS

IMIDAZOLE
ANTIFUNGAL
TREATMENT OF INTERDIGITAL TINEA PEDIS
DERMATOLOGICALS
BY INHIBITING THE CYTOCHROME P450-DEPENDENT SYNTHESIS OF ERGOSTEROL, KEY COMPONENT OF THE CELL MEMBRANE OF FUNGI

ROUTE (list)

TOPICAL

ATC code

D01AC14
G01AF19

PK parameters

Solubility

PRACTICALLY INSOLUBLE IN WATER

Target

TARGET CYTOCHROME P450

PDB
1TQN (HUMAN MICROSOMAL P450 3A4)

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

Download experimental 3D coordinates of - with added hydrogens

DrugCentral

Lanosterol 14-alpha demethylase UNIPROT P10613 ERG11

Download SDF file

1-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

Formula:
C20H15Cl3N2OS

Calculated chemical properties:

MW 437.76
NB_atoms 27
XLogP 7.02
PSA 21.865
NB_HD 0
NB_HA 3
fsp3 0.15
Lipinski(0=no;1=yes) 0

FDA
NDA 021385 (label) INN (SERTACONAZOLE NITRATE) ERTACZO (LACER PHARMA) APPROVAL= AP YEAR= 2003 NEWMOLECULARENTITY