Ligand id: 9429

Name: miransertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 95.64
Molecular weight 432.21
XLogP 6.62
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
ARQ-092 inhibits all three AKT isoforms and the oncogenic AKT1E17K mutant [3] in vitro, and inhibits endometrial adenocarcinoma xenograft in vivo [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
AKT serine/threonine kinase 2 Hs Allosteric modulator Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 4.5x10-9 M) [1]
AKT serine/threonine kinase 1 Hs Allosteric modulator Inhibition 8.3 pIC50 - 1
pIC50 8.3 (IC50 5x10-9 M) [1]
AKT serine/threonine kinase 3 Hs Allosteric modulator Inhibition 7.8 pIC50 - 1
pIC50 7.8 (IC50 1.6x10-8 M) [1]