BAY-299

Ligand id: 9524

Name: BAY-299

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 81.16
Molecular weight 429.17
XLogP 4.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-(3-hydroxypropyl)-2-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
Database Links
PubChem CID 122705990
RCSB PDB Ligand 7M8
Search Google for chemical match using the InChIKey OFWWWKWUCDUISA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OFWWWKWUCDUISA
Search UniChem for chemical match using the InChIKey OFWWWKWUCDUISA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OFWWWKWUCDUISA
Comments
BAY-299 is a potent and selective inhibitor of BRPF2 (a.k.a. BRD1) and the second bromodomain of TAF1. It is >30-fold selective for BRPF2 over BRPF1 and -3. It is one of the chemical tools in the Structural Genomics Consortium's Epigenetic Probes Library and was developed in collaboration with Bayer.