BI-9564

Ligand id: 8950

Name: BI-9564

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 56.59
Molecular weight 353.17
XLogP 3.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
4-{4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl}-2-methyl-1,2-dihydro-2,7-naphthyridin-1-one
Comments
BI-9564 is an inhibitor of bromodomains in BRD7 and BRD9 [1-2]. BI-9564 is one of the compounds available from the Structural Genomics Consortium's epigenetic probes set. It was developed in collaboration with Boehringer Ingelheim.
Database Links
GtoPdb PubChem SID 310264731
PubChem CID 117072549
RCSB PDB Ligand 5U6
Search Google for chemical match using the InChIKey BJFSUDWKXGMUKA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BJFSUDWKXGMUKA
Search UniChem for chemical match using the InChIKey BJFSUDWKXGMUKA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BJFSUDWKXGMUKA
SynPHARM 83214 (in complex with bromodomain containing 9)

Product suppliers

Tocris
BI 9564
Cat. No. 5590