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

Cmax BELOW THE LIMIT OF QUANTITATION (2.5 NANOGRAM / MILLILITER)

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