compound 5g [PMID: 20483621]

Ligand id: 8207

Name: compound 5g [PMID: 20483621]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 47.53
Molecular weight 468.16
XLogP 3.43
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
Database Links
ChEMBL Ligand CHEMBL1164181
GtoPdb PubChem SID 249565887
PubChem CID 46906624
Search Google for chemical match using the InChIKey CSYSNPSPLOLFFI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CSYSNPSPLOLFFI
Search UniChem for chemical match using the InChIKey CSYSNPSPLOLFFI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CSYSNPSPLOLFFI
Comments
Compound 5g is reported in [1] as a novel inhibitor of anaplastic lymphoma receptor tyrosine kinase (ALK).