compound 5m [PMID: 20483621]

Ligand id: 8206

Name: compound 5m [PMID: 20483621]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 51.71
Molecular weight 583.23
XLogP 6.59
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
Database Links
BindingDB Ligand 50321053
ChEMBL Ligand CHEMBL1163559
PubChem CID 46871638
Search Google for chemical match using the InChIKey JVVGHVJDZJSKRA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JVVGHVJDZJSKRA
Search UniChem for chemical match using the InChIKey JVVGHVJDZJSKRA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JVVGHVJDZJSKRA
Comments
Compound 5m is reported in [1] as an inhibitor of anaplastic lymphoma receptor tyrosine kinase (ALK).