BI-9564

Ligand id: 8950

Name: BI-9564

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 54.9
Molecular weight 353.17
XLogP 1.27
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
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)
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.