dual BRD4/PLK1 inhibitor 23

Ligand id: 10072

Name: dual BRD4/PLK1 inhibitor 23

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 102.93
Molecular weight 561.34
XLogP 4.34
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(R)-4-((8-Cyclopentyl-5,7-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino)-3-(cyclopentyloxy)-N-(1-methylpiperidin-4-yl)benzamide
Synonyms
compound 23 [PMID: 30125504]
Comments
This compound was designed as a dual inhibitor of the BET family protein BRD4 and polo like kinase 1 (PLK1) to investigate the potential of synergistic inhibition of these two proteins as an anti-cancer therapy [1]. Compound 23 is an equipotent inhibitor of BRD4-BD1 and PLK1 that will facilitate exploration of this polypharmacological approach as a cancer treatment.
Database Links
GtoPdb PubChem SID 375973259
Search Google for chemical match using the InChIKey HTPNGOWITIWAHM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HTPNGOWITIWAHM
Search UniChem for chemical match using the InChIKey HTPNGOWITIWAHM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HTPNGOWITIWAHM