e-Drug3D

2095

MOMELOTINIB

INN
MOMELOTINIB

cas 1056634-68-4

CLASS

ANTINEOPLASTIC
TREATMENT OF MYELOFIBROSIS
JANUS KINASE 1 AND 2 (JAK1/JAK2) INHIBITOR AND AND MUTANT JAK2V617F

ROUTE (list)

ORAL

PK parameters

Tmax 2 HOUR
VD 984 LITER
Cl 103 LITER / HOUR
PPB 91 PERCENT
t1/2 6 HOUR

Solubility

SLIGHTLY SOLUBLE IN WATER

Target

TARGET JANUS KINASE 1 AND 2 (JAK1/JAK2)

PDB
8BXH (CRYSTAL STRUCTURE OF JAK2 JH1 IN COMPLEX WITH MOMELOTINIB)

Download experimental 3D coordinates of C87 with added hydrogens

Download SDF file

Benzamide, N-(cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]- (ACI)

Formula:
C23H22N6O2

Calculated chemical properties:

MW 414.47
NB_atoms 31
XLogP 2.98
PSA 93.066
NB_HD 2
NB_HA 8
fsp3 0.22
Lipinski(0=no;1=yes) 1

FDA
NDA 216873 (label) INN (MOMELOTINIB DIHYDROCHLORIDE) OJJAARA (GLAXOSMITHKLINE) APPROVAL= AP YEAR= 2023 NEWMOLECULARENTITY