compound 16 [PMID: 18945615]

Ligand id: 8178

Name: compound 16 [PMID: 18945615]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 70.25
Molecular weight 413.19
XLogP 3.9
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-[2-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]pyridin-4-yl]-1,7-dihydropyrrolo[3,2-e]pyrimidin-4-one
Database Links
BindingDB Ligand 30323
ChEMBL Ligand CHEMBL461139
PubChem CID 16119710
Search Google for chemical match using the InChIKey AWZFCQRICMFIES-AATRIKPKSA-N
Search Google for chemicals with the same backbone AWZFCQRICMFIES
Search UniChem for chemical match using the InChIKey AWZFCQRICMFIES-AATRIKPKSA-N
Search UniChem for chemicals with the same backbone AWZFCQRICMFIES
Comments
Compound 16 is reported as a potent mitogen-activated protein kinase-activated protein kinase 2 (MK2) inhibitor [1].