VE-822

Ligand id: 8003

Name: VE-822

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 132.38
Molecular weight 463.17
XLogP 3.79
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
Synonyms
VE 822
Database Links
CAS Registry No. 1232416-25-9
PubChem CID 59472121
Search Google for chemical match using the InChIKey JZCWLJDSIRUGIN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JZCWLJDSIRUGIN
Search UniChem for chemical match using the InChIKey JZCWLJDSIRUGIN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JZCWLJDSIRUGIN
Comments
VE-822 is a potent and selective inhibitor of the serine/threonine kinase ATR. The structure of VE-822 is shown in patent US20130089626 [3]. VE-822 was investigated for its potential antineoplastic action [1].