compound 53 [PMID: 19631533]

Ligand id: 8811

Name: compound 53 [PMID: 19631533]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 102.36
Molecular weight 447.2
XLogP 1.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[3,4-b]pyrazin-2-one
Database Links
BindingDB Ligand 50300972
ChEMBL Ligand CHEMBL567470
PubChem CID 45486504
Search Google for chemical match using the InChIKey HCCNBKFJYUWLEX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HCCNBKFJYUWLEX
Search UniChem for chemical match using the InChIKey HCCNBKFJYUWLEX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HCCNBKFJYUWLEX
Comments
Compound 53 was developed as a drug-like inhibitor of phosphodiesterase 5 (PDE5) [1].