compound 50 [PMID: 24313754]

Ligand id: 8824

Name: compound 50 [PMID: 24313754]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 110.1
Molecular weight 438.15
XLogP 3.19
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Database Links
ChEMBL Ligand CHEMBL3108800
PubChem CID 76317442
Search Google for chemical match using the InChIKey MYFFGZYMLKZBPZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MYFFGZYMLKZBPZ
Search UniChem for chemical match using the InChIKey MYFFGZYMLKZBPZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MYFFGZYMLKZBPZ
Comments
Compound 50 was identified in a study designed to find inhibitors of BET bromodomains in proteins outside of the BET subfamily [1]. Compound 50 inhibits BET domain activity in several enzymes including cat eye syndrome chromosome region, candidate 2 (CECR2), CREB binding protein (CREBBP) and bromodomain containing 9 (BRD9).