imatinib

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Ligands
imatinib

Ligand id: 5687

Name: imatinib

Structure and Physico-chemical Properties

2D Structure

Calculated Physico-chemical Properties
Hydrogen bond acceptors	8
Hydrogen bond donors	2
Rotatable bonds	8
Topological polar surface area	86.28
Molecular weight	493.26
XLogP	4.27
No. Lipinski's rules broken	0

Molecular properties generated using the CDK

Classification
Compound class	Synthetic organic
Approved drug?	Yes (source: FDA (2001))

IUPAC Name
N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

IUPAC Name

N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

International Nonproprietary Names
INN number	INN
8031	imatinib

Synonyms
CGP 57148
Gleevec®
Glivec®
STI571

Synonyms

CGP 57148

Gleevec®

Glivec®

STI571

Database Links
CAS Registry No.	152459-95-5
ChEBI	CHEBI:45783
ChEMBL Ligand	CHEMBL941
DrugBank Ligand	DB00619
PubChem CID	5291
RCSB PDB Ligand	STI
Search Google for chemical match using the InChIKey	KTUFNOKKBVMGRW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone	KTUFNOKKBVMGRW
Search PubMed clinical trials	imatinib
Search PubMed titles	imatinib
Search PubMed titles/abstracts	imatinib
Wikipedia	Imatinib

Comments
Imatinib is a Type-2 kinase inhibitor. Its main inhibitory activity is agains ABL kinase, but it has significant action at secondary targets including platelet-derived growth factor receptor (PDGFR) and stem cell growth factor receptor (KIT).

Comments

Imatinib is a Type-2 kinase inhibitor. Its main inhibitory activity is agains ABL kinase, but it has significant action at secondary targets including platelet-derived growth factor receptor (PDGFR) and stem cell growth factor receptor (KIT).