compound 5n [PMID: 20483621]

Ligand id: 8208

Name: compound 5n [PMID: 20483621]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 56.32
Molecular weight 488.17
XLogP 4.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-ylpyridin-4-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
Comments
Compound 5n is reported in [1] as a novel inhibitor anaplastic lymphoma receptor tyrosine kinase (ALK).
Database Links
BindingDB Ligand 50321054
ChEMBL Ligand CHEMBL1163566
GtoPdb PubChem SID 249565888
PubChem CID 46871653
Search Google for chemical match using the InChIKey AHZCYZMNFBGXAC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AHZCYZMNFBGXAC
Search UniChem for chemical match using the InChIKey AHZCYZMNFBGXAC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AHZCYZMNFBGXAC