compound 6 [PMID: 30125504]

Ligand id: 10073

Name: compound 6 [PMID: 30125504]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 102.93
Molecular weight 535.33
XLogP 4.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(R)-4-((8-Cyclopentyl-5-methyl-6-oxo-7-propyl-5,6,7,8-tetrahydropteridin-2-yl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Comments
Compound 6 was discovered as part of the same structure-guided design campaign as dual BRD4/PLK1 inhibitor 23, but in contrast is selective for polo like kinase 1 (PLK1) over BRD4-BD1 [1]. Dual BRD4/PLK1 inhibitor 23 and compound 6 will allow dissection of the contributions made by inhibition of each target to the desired anti-cancer potential of this polypharmacology approach.
Database Links
GtoPdb PubChem SID 375973260
Search Google for chemical match using the InChIKey ZUJOXCIHOKDDRE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZUJOXCIHOKDDRE
Search UniChem for chemical match using the InChIKey ZUJOXCIHOKDDRE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZUJOXCIHOKDDRE