CEP-37440

Ligand id: 9698

Name: CEP-37440

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 114.88
Molecular weight 579.27
XLogP 3.59
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]pyrimidin-4-yl]amino]-N-methylbenzamide
Synonyms
CEP37440 [2] | compound 27b [PMID: 27527804]
Database Links
GtoPdb PubChem SID 348353657
PubChem CID 71721648
Search Google for chemical match using the InChIKey BCSHRERPHLTPEE-NRFANRHFSA-N
Search Google for chemicals with the same backbone BCSHRERPHLTPEE
Search UniChem for chemical match using the InChIKey BCSHRERPHLTPEE-NRFANRHFSA-N
Search UniChem for chemicals with the same backbone BCSHRERPHLTPEE
Comments
CEP-37440 is an orally available, dual focal adhesion kinase (FAK) and anaplastic lymphoma kinase (ALK) inhibitor [2]. The chemical structure is claimed in patent US20170369451 [1]. The compound is an oncology lead candidate [3].
Note that this entry has been updated to reflect an error in the article that initially attributed this chemical structure to the compound BMS-986165 (online corrected article [4], erratum described in [5]). The structure of BMS-986165 has not in fact been disclosed.