e-Drug3D

1922

IVOSIDENIB

INN
IVOSIDENIB

cas 1448347-49-6

CLASS

ANTINEOPLASTIC
TARGETS MUTANT ISOCITRATE DEHYDROGENASE-1 (IDH1) IDH1 R132
INHIBITOR
TREATMENT OF ACUTE MYELOID LEUKEMIA (AML)

ROUTE (list)

ORAL

ATC code

L01XM02

PK parameters

Tmax 3 HOUR
VD 234 LITER
Cl 4.3 LITER / HOUR
PPB 94 PERCENT
t1/2 93 HOUR

Solubility

PRACTICALLY INSOLUBLE IN AQUEOUS SOLUTIONS BETWEEN PH 1.2 AND 7.4

Target

TARGET ISOCITRATE DEHYDROGENASE-1 (IDH1)

PDB
8T7O (CRYSTAL STRUCTURE OF THE R132H MUTANT OF IDH1 BOUND TO AG-120)

Download experimental 3D coordinates of IV3 with added hydrogens

Isocitrate dehydrogenase NADP cytoplasmic UNIPROT O75874 IDH1

Download SDF file

Glycinamide, 1-(4-cyano-2-pyridinyl)-5-oxo-L-prolyl-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-N2-(5-fluoro-3-pyridinyl)-, (2S)-

Formula:
C28H22ClF3N6O3

Calculated chemical properties:

MW 582.97
NB_atoms 41
XLogP 4.32
PSA 89.749
NB_HD 1
NB_HA 9
fsp3 0.29
Lipinski(0=no;1=yes) 0

FDA
NDA 211192 (label) INN (IVOSIDENIB) TIBSOVO (SERVIER) APPROVAL= AP YEAR= 2018 NEWMOLECULARENTITY