RG7112

Ligand id: 9599

Name: RG7112

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 12
Topological polar surface area 90.9
Molecular weight 726.28
XLogP 9.04
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-(3-methylsulfonylpropyl)piperazin-1-yl]methanone
Database Links
ChEMBL Ligand CHEMBL2386346
PubChem CID 57406853
RCSB PDB Ligand 1F0
Search Google for chemical match using the InChIKey QBGKPEROWUKSBK-QPPIDDCLSA-N
Search Google for chemicals with the same backbone QBGKPEROWUKSBK
Search UniChem for chemical match using the InChIKey QBGKPEROWUKSBK-QPPIDDCLSA-N
Search UniChem for chemicals with the same backbone QBGKPEROWUKSBK
Wikipedia Q27287118
Comments
RG7112 is a clinical small-molecule MDM2 inhibitor designed to occupy the p53-binding pocket. In cancer cells expressing wild-type p53, this compound stabilizes it and activates the p53 pathway, leading to cell cycle arrest, apoptosis, and inhibition or regression of human tumor xenografts. [2]