e-Drug3D

678

ITRACONAZOLE


INN
ITRACONAZOLE

cas 84625-61-6
CLASS

ANTIINFECTIVES
ANTIFUNGAL
ANTIPROTOZOALS
CYTOCHROME P450-DEPENDENT SYNTHESIS OF ERGOSTEROL

ROUTE (list)

ORAL INJECTION

ATC code

J02AC02

PK parameters

F 55 PERCENT
Tmax 4.6 HOUR
VD 796 LITER
Cl 22.8 LITER / HOUR
PPB 99.8 PERCENT
t1/2 64 HOUR

Solubility

INSOLUBLE IN WATER


Target

TARGET CYTOCHROME P450

PDB
5EQB (CRYSTAL STRUCTURE OF LANOSTEROL 14-ALPHA DEMETHYLASE WITH INTACT TRANSMEMBRANE DOMAIN BOUND TO ITRACONAZOLE)

Ligand code = 1YN (link to the list of PDB complexes)

Download experimental 3D coordinates of 1YN with added hydrogens

DrugCentral

Lanosterol 14-alpha demethylase UNIPROT P10613 ERG11

Download SDF file 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

Formula:
C35H38Cl2N8O4

Calculated chemical properties:

MW 705.63
NB_atoms 49
XLogP 5.58
PSA 99.04
NB_HD 0
NB_HA 12
fsp3 0.37
Lipinski(0=no;1=yes) 0

FDA
NDA 020083 (pdf not found) INN (ITRACONAZOLE) SPORANOX (JANSSEN PHARMS) APPROVAL= AP YEAR= 1992
NDA 020694 (pdf not found) INN (ITRACONAZOLE) SPORANOX (JANSSEN PHARMA) APPROVAL= AP YEAR= 1996 NEWAPPLICATION
NDA 020657 (pdf not found) INN (ITRACONAZOLE) SPORANOX (JANSSEN PHARMS) APPROVAL= AP YEAR= 1997 DISCONTINUED
NDA 020966 (pdf not found) INN (ITRACONAZOLE) SPORANOX (JANSSEN PHARMS) APPROVAL= AP YEAR= 1999 DISCONTINUED
NDA 076104 (pdf not found) INN (ITRACONAZOLE) ITRACONAZOLE (SANDOZ) APPROVAL= AP YEAR= 2004
NDA 022484 (pdf not found) INN (ITRACONAZOLE) ONMEL (SEBELA IRELAND LTD) APPROVAL= AP YEAR= 2010 DISCONTINUED
NDA 200463 (pdf not found) INN (ITRACONAZOLE) ITRACONAZOLE (MYLAN PHARMS INC) APPROVAL= AP YEAR= 2012 DISCONTINUED
NDA 205573 (pdf not found) INN (ITRACONAZOLE) ITRACONAZOLE (AMNEAL PHARMS) APPROVAL= AP YEAR= 2015
NDA 205991 (pdf not found) INN (ITRACONAZOLE) ITRACONAZOLE (ACCORD HLTHCARE) APPROVAL= AP YEAR= 2016 DISCONTINUED
NDA 205080 (pdf not found) INN (ITRACONAZOLE) ITRACONAZOLE (AMNEAL PHARMS) APPROVAL= AP YEAR= 2016
NDA 205724 (pdf not found) INN (ITRACONAZOLE) ITRACONAZOLE (RISING) APPROVAL= AP YEAR= 2016
NDA 206741 (pdf not found) INN (ITRACONAZOLE) ITRACONAZOLE (ALEMBIC) APPROVAL= AP YEAR= 2016
NDA 203445 (pdf not found) INN (ITRACONAZOLE) ITRACONAZOLE (JUBILANT GENERICS) APPROVAL= AP YEAR= 2017 DISCONTINUED
NDA 208591 (pdf not found) INN (ITRACONAZOLE) ITRACONAZOLE (ALKEM LABS LTD) APPROVAL= AP YEAR= 2017
NDA 204672 (pdf not found) INN (ITRACONAZOLE) ITRACONAZOLE (ZYDUS PHARMS) APPROVAL= AP YEAR= 2017
NDA 208901 (pdf not found) INN (ITRACONAZOLE) TOLSURA (MAYNE PHARMA) APPROVAL= AP YEAR= 2018
NDA 209460 (pdf not found) INN (ITRACONAZOLE) ITRACONAZOLE (TORRENT) APPROVAL= AP YEAR= 2018
NDA 206410 (pdf not found) INN (ITRACONAZOLE) ITRACONAZOLE (STRIDES PHARMA) APPROVAL= AP YEAR= 2019 DISCONTINUED
NDA 208481 (pdf not found) INN (ITRACONAZOLE) ITRACONAZOLE (APOTEX) APPROVAL= AP YEAR= 2019 DISCONTINUED
NDA 212239 (pdf not found) INN (ITRACONAZOLE) ITRACONAZOLE (ANNORA PHARMA) APPROVAL= AP YEAR= 2020

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL