compound 25b [PMID: 22564207]

Ligand id: 8139

Name: compound 25b [PMID: 22564207]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 114.63
Molecular weight 538.25
XLogP 2.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1S,2S,3R,4R)-3-[(5-Chloro-2-{[(7S)-1-methoxy-7-(4-morpholinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino}-4-pyrimidinyl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
Database Links
ChEMBL Ligand CHEMBL2064666
PubChem CID 57325421
Search Google for chemical match using the InChIKey LAJAFFLJAJMYLK-CVOKMOJFSA-N
Search Google for chemicals with the same backbone LAJAFFLJAJMYLK
Search UniChem for chemical match using the InChIKey LAJAFFLJAJMYLK-CVOKMOJFSA-N
Search UniChem for chemicals with the same backbone LAJAFFLJAJMYLK
Comments
Compound 25b is a potent and selective, orally available inhibitor of anaplastic lymphoma receptor tyrosine kinase (ALK) [1].