PSB-6426

Ligand id: 9033

Name: PSB-6426

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 13
Topological polar surface area 202.64
Molecular weight 540.16
XLogP -0.19
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S,3S,4R,5R)-N-[2-[4-(diethoxyphosphorylmethyl)anilino]-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
Synonyms
compound 19a [PMID: 18630897]
Comments
PSB-6426 is a tool compound which inhibits ectonucleoside triphosphate diphosphohydrolase 2 (ENTPD2, CD39L1) [1]. Structurally it is a uridine derivative, and it was the most potent compound discovered in a series designed to find novel structures with potential cardioprotective action.
Database Links
BindingDB Ligand 50262249
ChEMBL Ligand CHEMBL469212
GtoPdb PubChem SID 315661118
PubChem CID 24949079
Search Google for chemical match using the InChIKey AEVBPXDFDKBGLT-YOUFYPILSA-N
Search Google for chemicals with the same backbone AEVBPXDFDKBGLT
Search UniChem for chemical match using the InChIKey AEVBPXDFDKBGLT-YOUFYPILSA-N
Search UniChem for chemicals with the same backbone AEVBPXDFDKBGLT