flumatinib

Ligand id: 9913

Name: flumatinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 99.17
Molecular weight 562.24
XLogP 2.8
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridin-3-yl]-3-(trifluoromethyl)benzamide
Synonyms
HH-GV678 | HHGV-678
Comments
Flumatinib (HH-GV-678) is a selective, orally bioavailable inhibitor of Bcr-Abl that was developed for antineoplastic potential [1].
Flumatinib is a 'pseudo' INN, that takes the form of an INN, but has not been submitted to the World Health Organisation for ratification.
Database Links
ChEMBL Ligand CHEMBL3545413
GtoPdb PubChem SID 363894207
PubChem CID 46848036
Search Google for chemical match using the InChIKey BJCJYEYYYGBROF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BJCJYEYYYGBROF
Search UniChem for chemical match using the InChIKey BJCJYEYYYGBROF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BJCJYEYYYGBROF