pelitinib

Ligand id: 7644

Name: pelitinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 90.28
Molecular weight 467.15
XLogP 3.27
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-N-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-dimethylaminobut-2-enamide
International Nonproprietary Names
INN number INN
8462 pelitinib
Synonyms
EKB-569
Database Links
CAS Registry No. 257933-82-7
ChEBI CHEBI:38927
ChEMBL Ligand CHEMBL607707
PubChem CID 6445562
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Comments
Pelitinib is an irreversible inhibitor of EGFR and HER2.