compound 16 [PMID: 17480064]

Ligand id: 8177

Name: compound 16 [PMID: 17480064]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 70.67
Molecular weight 340.13
XLogP 3.61
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
Database Links
ChEMBL Ligand CHEMBL226403
PubChem CID 10389239
RCSB PDB Ligand P4O
Search Google for chemical match using the InChIKey OWFLADWRSCINST-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OWFLADWRSCINST
Search UniChem for chemical match using the InChIKey OWFLADWRSCINST-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OWFLADWRSCINST
SynPHARM 81673 (in complex with mitogen-activated protein kinase-activated protein kinase 2)
Comments
Compound 16 is reported as a novel, potent and selective inhibitor of mitogen-activated protein kinase-activated protein kinase 2 (MK-2) [1].