CPI-0610

Ligand id: 9120

Name: CPI-0610

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 81.48
Molecular weight 365.09
XLogP 4.37
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide
Synonyms
compound 10 [PMID: 26815195]
Database Links
GtoPdb PubChem SID 315661205
PubChem CID 57389999
RCSB PDB Ligand 62G
Search Google for chemical match using the InChIKey GCWIQUVXWZWCLE-INIZCTEOSA-N
Search Google for chemicals with the same backbone GCWIQUVXWZWCLE
Search UniChem for chemical match using the InChIKey GCWIQUVXWZWCLE-INIZCTEOSA-N
Search UniChem for chemicals with the same backbone GCWIQUVXWZWCLE
SynPHARM 83518 (in complex with bromodomain containing 4)
Comments
CPI-0610 is an investigational BET inhibitor with anti-tumour potential [1]. BET inhibitors bind to the bromodomains of the bromodomain and extra-terminal motif (BET) proteins BRD2, BRD3, BRD4, and BRDT. This mechanism acts to prevent protein-protein interaction between BET proteins and acetylated histones and transcription factors. The action disrupts chromatin remodeling and inhibits expression of some growth-promoting genes which slows proliferation in susceptible tumours.