berzosertib

Ligand id: 8003

Name: berzosertib

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 3.77
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
International Nonproprietary Names
INN number INN
10538 berzosertib
Synonyms
M6620 | VE 822 | VE-822 | VX-970 | VX970
Comments
Berzosertib (VE-822) is a potent and selective inhibitor of the serine/threonine kinase ATR [5]. The structure of VE-822 is claimed in patent US20130089626 [4]. VE-822 is under investigated for its potential antineoplastic action [1].
Database Links
CAS Registry No. 1232416-25-9
GtoPdb PubChem SID 249565683
PubChem CID 59472121
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