e-Drug3D

2064

OLUTASIDENIB

INN
OLUTASIDENIB

cas 1887014-12-1

CLASS

ANTINEOPLASTIC
ISOCITRATE DEHYDROGENASE-1 (IDH1) INHIBITOR
TREATMENT OF ADULT PATIENTS WITH RELAPSED OR REFRACTORY ACUTE MYELOID LEUKEMIA (AML) WITH A SUSCEPTIBLE IDH1 MUTATION

ROUTE (list)

ORAL

ATC code

L01XM03

PK parameters

Tmax 4 HOUR
VD 319 LITER
Cl 4 LITER / HOUR
PPB 93 PERCENT
t1/2 67 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER

Target

TARGET ISOCITRATE DEHYDROGENASE-1 (IDH1)

PDB
6U4J (CRYSTAL STRUCTURE OF IDH1 R132H MUTANT IN COMPLEX WITH FT-2102)

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

Download experimental 3D coordinates of PWV with added hydrogens

DrugCentral

Isocitrate dehydrogenase NADP cytoplasmic IDH1 UNIPROT O75874 IDH1

Download SDF file

2-Pyridinecarbonitrile, 5-[[(1S)-1-(6-chloro-1,2-dihydro-2-oxo-3-quinolinyl)ethyl]amino]-1,6-dihydro-1-methyl-6-oxo- (ACI)

Formula:
C18H15ClN4O2

Calculated chemical properties:

MW 354.79
NB_atoms 25
XLogP 2.92
PSA 76.164
NB_HD 2
NB_HA 6
fsp3 0.17
Lipinski(0=no;1=yes) 1

FDA
NDA 215814 (label) INN (OLUTASIDENIB) REZLIDHIA (RIGEL PHARMS) APPROVAL= AP YEAR= 2022 NEWMOLECULARENTITY