compound 8 [PMID: 17480064]

Ligand id: 8763

Name: compound 8 [PMID: 17480064]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 57.78
Molecular weight 213.09
XLogP 1.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
Synonyms
PHA-767491 [2]
Database Links
ChEMBL Ligand CHEMBL225519
PubChem CID 11715767
RCSB PDB Ligand 0SY
Search Google for chemical match using the InChIKey DKXHSOUZPMHNIZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DKXHSOUZPMHNIZ
Search UniChem for chemical match using the InChIKey DKXHSOUZPMHNIZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DKXHSOUZPMHNIZ
Comments
Compound 8 is reported in [1] as an inhibitor of mitogen-activated protein kinase-activated protein kinase 2 (MK-2; MAPKAPK2). Montagnoli et al. (2008) report the antitumour activity of this compound [2].