e-Drug3D

1592

BOSUTINIB

INN
BOSUTINIB

cas 380843-75-4

CLASS

ANTINEOPLASTIC
TYROSINE KINASE INHIBITOR
TREATMENT OF CHRONIC MYELOGENOUS LEUKEMIA (CML)

ROUTE (list)

ORAL

ATC code

L01EA04

PK parameters

Cmax 0.37 MICROMOLAR
VD 6080 LITER
Cl 189 LITER / HOUR
PPB 94 PERCENT
t1/2 22.5 HOUR

Solubility

ABOVE PH 5 THE SOLUBILITY OF BOSUTINIB MONOHYDRATE REDUCES RAPIDLY

Target

TARGET BCR-ABL

PDB
4OTW (HER3 PSEUDOKINASE DOMAIN BOUND TO BOSUTINIB)

Ligand code = DB8 (link to the list of PDB complexes)

Download experimental 3D coordinates of DB8 with added hydrogens

DrugCentral

Tyrosine-protein kinase ABL1 UNIPROT P00519 ABL1

Proto-oncogene tyrosine-protein kinase Src UNIPROT P12931 SRC

Download SDF file

3-Quinolinecarbonitrile, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-

Formula:
C26H29Cl2N5O3

Calculated chemical properties:

MW 530.44
NB_atoms 36
XLogP 5.19
PSA 81.904
NB_HD 1
NB_HA 8
fsp3 0.38
Lipinski(0=no;1=yes) 0

FDA
NDA 203341 (label) INN (BOSUTINIB MONOHYDRATE) BOSULIF (PF PRISM CV) APPROVAL= AP YEAR= 2012
NDA 217729 (label) INN (BOSUTINIB MONOHYDRATE) BOSULIF (PF PRISM CV) APPROVAL= AP YEAR= 2023
NDA 209577 (pdf not found) INN (BOSUTINIB MONOHYDRATE) BOSUTINIB (SUN PHARM INDUSTRIES) APPROVAL= TA YEAR= 2023
NDA 209543 (pdf not found) INN (BOSUTINIB MONOHYDRATE) BOSUTINIB MONOHYDRATE (ALEMBIC) APPROVAL= AP YEAR= 2025
NDA 209624 (pdf not found) INN (BOSUTINIB MONOHYDRATE) BOSUTINIB MONOHYDRATE (MSN) APPROVAL= AP YEAR= 2026