GSK8814

Ligand id: 9521

Name: GSK8814

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 97.4
Molecular weight 527.27
XLogP 3.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one
Database Links
PubChem CID 121499171
RCSB PDB Ligand 6XX
Search Google for chemical match using the InChIKey YDPMMWAOCCOULO-JBRSBNLGSA-N
Search Google for chemicals with the same backbone YDPMMWAOCCOULO
Search UniChem for chemical match using the InChIKey YDPMMWAOCCOULO-JBRSBNLGSA-N
Search UniChem for chemicals with the same backbone YDPMMWAOCCOULO
SynPHARM 84270 (in complex with ATPase family, AAA domain containing 2)
84272 (in complex with ATPase family, AAA domain containing 2)
84269 (in complex with ATPase family, AAA domain containing 2)
Comments
GSK8814 is a chemical probe for the ATAD2/2B bromodomain [1] and is available via the Stuctural Genomics Consortium's chemical probe dissemination program. Click here to link to the SGC's full list of epigenetics probes.