compound 60 [PMID: 26155854]

Ligand id: 8641

Name: compound 60 [PMID: 26155854]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 88.17
Molecular weight 365.19
XLogP 1.15
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
Database Links
GtoPdb PubChem SID 252166841
PubChem CID 91820725
RCSB PDB Ligand NP8
Search Google for chemical match using the InChIKey FPQQERRFPULCIK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FPQQERRFPULCIK
Search UniChem for chemical match using the InChIKey FPQQERRFPULCIK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FPQQERRFPULCIK
SynPHARM 82521 (in complex with ATPase family, AAA domain containing 2)
Comments
Compound 60 is reported as a novel low-micromolar inhibitor of ATPase family, AAA domain containing 2 (ATAD2) [1]. This compound has little selectivity over other BET domains tested so further optimisation would be required to optimise the selectivity profile
ATAD2 inhibitors are being investigated for their potential anti-cancer effects.