e-Drug3D

1965

FEDRATINIB

INN
FEDRATINIB

cas 936091-26-8

CLASS

ANTINEOPLASTIC
JANUS ASSOCIATED KINASE 2 INHIBITOR (JAK2)
FMS-LIKE TYROSINE KINASE 3 (FLT3) INHIBITOR
TREATMENT OF INTERMEDIATE-2 OR HIGH-RISK PRIMARY OR SECONDARY MYELOFIBROSIS (MF)

ROUTE (list)

ORAL

ATC code

L01EJ02

PK parameters

Tmax 3 HOUR
VD 1770 LITER
Cl 13 LITER / HOUR
PPB 92 PERCENT
t1/2 114 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER

Target

TARGET JANUS ASSOCIATED KINASE 2 INHIBITOR (JAK2)
FMS-LIKE TYROSINE KINASE 3 (FLT3)

PDB
4PS5 (CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH TG101348)

Ligand code = 2TA (link to the list of PDB complexes)

Download experimental 3D coordinates of 2TA with added hydrogens

DrugCentral

Receptor-type tyrosine-protein kinase FLT3 UNIPROT P36888 FLT3

Tyrosine-protein kinase JAK2 UNIPROT O60674 JAK2

Download SDF file

Benzenesulfonamide, N-(1,1-dimethylethyl)-3-[[5-methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]-

Formula:
C27H36N6O3S

Calculated chemical properties:

MW 524.69
NB_atoms 37
XLogP 4.82
PSA 100.036
NB_HD 3
NB_HA 9
fsp3 0.41
Lipinski(0=no;1=yes) 0

FDA
NDA 212327 (label) INN (FEDRATINIB HYDROCHLORIDE) INREBIC (BRISTOL-MYERS) APPROVAL= AP YEAR= 2019 NEWMOLECULARENTITY