e-Drug3D

1788

ISAVUCONAZOLE

INN
ISAVUCONAZOLE

cas 241479-67-4

CLASS

ANTIINFECTIVES
AN AZOLE ANTIFUNGAL
TREATMENT OF INVASIVE ASPERGILLOSIS AND MUCORMYCOSIS

ROUTE (list)

ATC code

J02AC05

PK parameters

F 98 PERCENT
Tmax 2.5 HOUR
Cmax 27.9 MICROMOLAR
VD 450 LITER
Cl 2.4 LITER / HOUR (EQN)
PPB 99 PERCENT
t1/2 130 HOUR

Target

TARGET LANOSTEROL 14 ALPHA-DEMETHYLASE (CYTOCHROME P450 P-45014DM PMID26598096)

PDB
6UX0 (ISAVUCONAZOLE BOUND COMPLEX OF ACANTHAMOEBA CASTELLANII CYP51)

Download experimental 3D coordinates of QKM with added hydrogens

Unknown

Download SDF file

Benzonitrile, 4-[2-[(1R,2R)-2-(2,5-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-

Formula:
C22H17F2N5OS

Calculated chemical properties:

MW 437.48
NB_atoms 31
XLogP 4.24
PSA 68.505
NB_HD 1
NB_HA 6
fsp3 0.18
Lipinski(0=no;1=yes) 1

FDA
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