e-Drug3D

2054

OTESECONAZOLE

INN
OTESECONAZOLE

cas 1340593-59-0

CLASS

ANTIINFECTIVES
AZOLE ANTIFUNGAL
TREATMENT OF VULVOVAGINAL CANDIDIASIS
INHIBITS FUNGAL STEROL 14-ALPHA DEMETHYLASE (CYP51)

ROUTE (list)

ORAL

ATC code

J02AC06

PK parameters

Tmax 7.5 HOUR
Cmax 5.3 MICROMOLAR
VD 423 LITER
PPB 99.5 PERCENT
t1/2 3312 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER

Target

TARGET STEROL 14-ALPHA DEMETHYLASE (CYP51)

PDB
5TZ1 (CRYSTAL STRUCTURE OF STEROL 14-ALPHA DEMETHYLASE (CYP51) FROM CANDIDA ALBICANS IN COMPLEX WITH THE TETRAZOLE-BASED ANTIFUNGAL DRUG CANDIDATE VT1161 (VT1))

Ligand code = VT1 (link to the list of PDB complexes)

Download experimental 3D coordinates of VT1 with added hydrogens

DrugCentral

Lanosterol 14-alpha demethylase UNIPROT P10613

Download SDF file

2-Pyridineethanol, alpha-(2,4-difluorophenyl)-beta,beta-difluoro-alpha-(1H-tetrazol-1-ylmethyl)-5-[4-(2,2,2-trifluoroethoxy)phenyl]-, (alphaR)- (ACI)

Formula:
C23H16F7N5O2

Calculated chemical properties:

MW 527.41
NB_atoms 37
XLogP 4.63
PSA 75.023
NB_HD 1
NB_HA 7
fsp3 0.22
Lipinski(0=no;1=yes) 0

FDA
NDA 215888 (label) INN (OTESECONAZOLE) VIVJOA (MYCOVIA PHARMS) APPROVAL= AP YEAR= 2022 NEWMOLECULARENTITY