e-Drug3D

2022

INFIGRATINIB

DISCONTINUED

INN
INFIGRATINIB

cas 872511-34-7

CLASS

ANTINEOPLASTIC
KINASE INHIBITOR
TREATMENT OF METASTATIC CHOLANGIOCARCINOMA

ROUTE (list)

ORAL

ATC code

L01EN03

PK parameters

Tmax 6 HOUR
VD 1600 LITER
Cl 33.1 LITER / HOUR
PPB 96.8 PERCENT
t1/2 33.5 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER AT PH 6.8

Target

TARGET FGFR KINASE 1, 2, 3 AND 4 (IC50=1.1, 1, 2 AND 61 NANOMOLAR RESPECTIVELY)

PDB
3TT0 (CO-STRUCTURE OF FIBROBLAST GROWTH FACTOR RECEPTOR 1 KINASE DOMAIN WITH 3-(2,6-DICHLORO-3,5-DIMETHOXY-PHENYL)-1-{6-[4-(4-ETHYL-PIPERAZIN-1-YL)-PHENYLAMINO]-PYRIMIDIN-4-YL}-1-METHYL-UREA (BGJ398))

Ligand code = 07J (link to the list of PDB complexes)

Download experimental 3D coordinates of 07J with added hydrogens

DrugCentral

Fibroblast growth factor receptor 1 UNIPROT P11362 FGFR1

Download SDF file

Urea, N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]-N-methyl-

Formula:
C26H31Cl2N7O3

Calculated chemical properties:

MW 560.48
NB_atoms 38
XLogP 5.35
PSA 90.875
NB_HD 2
NB_HA 10
fsp3 0.35
Lipinski(0=no;1=yes) 0

FDA
NDA 214622 (label) INN (INFIGRATINIB PHOSPHATE) TRUSELTIQ (HELSINN HLTHCARE) APPROVAL= AP YEAR= 2021 NEWMOLECULARENTITY DISCONTINUED