kinase inhibitor 2 [PMID: 30199702]

Ligand id: 10081

Name: kinase inhibitor 2 [PMID: 30199702]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 106.05
Molecular weight 456.27
XLogP 4.61
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
8-(propan-2-yl)-N4-{[4-(pyridin-2-yl)phenyl]methyl}-N2-[(1r,4r)-4-aminocyclohexyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
Comments
This compound is reported by Compain et al. (2018) as the protein kinase inhibitor component of a β-glucuronidase-responsive albumin-binding prodrug that was designed as a novel cancer therapeutic [1]. The biological activity of inhibitor 2 is blocked when it is incoprorated in the enzyme-responsive prodrug. The active inhibitor is released only in the presence of β-glucuronidase (e.g. as exists in the tumour microenvironment), so should faciliate selective delivery of the drug to the tumour whilst minimising systemic off-target and adverse effects. Compound 2 is a multi-kinase inhibitor with a similar selectivity profile as seliciclib, but with additional potent inhibitory activity at DYRK3 and GSK3.
Database Links
GtoPdb PubChem SID 375973268
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