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 4.08
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
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.
Database Links
GtoPdb PubChem SID 336446910
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

Product suppliers

Tocris
BAY 299
Cat. No. 5970