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
GtoPdb PubChem SID 252827481
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).