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
Comments
Compound 5m is reported in [1] as an inhibitor of anaplastic lymphoma receptor tyrosine kinase (ALK).
Database Links
BindingDB Ligand 50321053
ChEMBL Ligand CHEMBL1163559
GtoPdb PubChem SID 249565886
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