compound 57 [PMID: 26155854]

Ligand id: 8640

Name: compound 57 [PMID: 26155854]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 78.94
Molecular weight 349.19
XLogP 1.7
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-methyl-5-(5-methylpyridin-3-yl)-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
Database Links
PubChem CID 91827383
Search Google for chemical match using the InChIKey PAGDGWOISBNVEC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PAGDGWOISBNVEC
Search UniChem for chemical match using the InChIKey PAGDGWOISBNVEC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PAGDGWOISBNVEC
Comments
Compound 57 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 selectivity profile.
ATAD2 inhibitors are being investigated for their potential anti-cancer effects.