Akt inhibitor X   Click here for help

GtoPdb Ligand ID: 5922

Synonyms: 10-DEBC | NCGC00167772-01
PDB Ligand
Compound class: Synthetic organic
Comment: This is compound 10B in [4] which describes its actions as an Akt (aka protein kinase B) inhibitor.
This compound is a thioridazine derivative. Thioridazine is a well known antipsychotic that acts as an antagonist of dopamine receptor activity. The compound also inhibits the kinase activity of Pim-1 [3] and X-ray crystallography shows the compound binding to the Pim-1 pharmacophore.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 15.71
Molecular weight 344.17
XLogP 5.41
No. Lipinski's rules broken 1
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Canonical SMILES CCN(CCCCN1c2ccccc2Oc2c1cc(Cl)cc2)CC
Isomeric SMILES CCN(CCCCN1c2ccccc2Oc2c1cc(Cl)cc2)CC
InChI InChI=1S/C20H25ClN2O/c1-3-22(4-2)13-7-8-14-23-17-9-5-6-10-19(17)24-20-12-11-16(21)15-18(20)23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3

Large-scale screening data

EMD Millipore KinaseProfilerTM screen/Reaction Biology Kinase HotspotSM screen Click here for help
A screen profiling 158 kinase inhibitors (Calbiochem Protein Kinase Inhibitor Library I and II, catalogue numbers 539744 and 539745) for their inhibitory activity at 1µM and 10µM against 234 human recombinant kinases using the EMD Millipore KinaseProfilerTM service.

A screen profiling the inhibitory activity of 178 commercially available kinase inhibitors at 0.5µM against a panel of 300 recombinant protein kinases using the Reaction Biology Corporation Kinase HotspotSM platform.


Reference: 1-2

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action % Activity remaining at 0.5µM % Activity remaining at 1µM % Activity remaining at 10µM
Pim-3 proto-oncogene, serine/threonine kinase Pim-3/PIM3 Hs Inhibitor Inhibition 37.8 92.0 47.0
Pim-1 proto-oncogene, serine/threonine kinase Pim-1/PIM1 Hs Inhibitor Inhibition 62.0 62.0 29.0
protein kinase N2 PRK2/PKN2(PRK2) Hs Inhibitor Inhibition 72.4 107.0 124.0
PAS domain containing serine/threonine kinase PASK/PASK Hs Inhibitor Inhibition 76.6 88.0 13.0
death associated protein kinase 1 DAPK1/DAPK1 Hs Inhibitor Inhibition 76.6 107.0 99.0
casein kinase 1 gamma 3 CK1γ3/CK1g3 Hs Inhibitor Inhibition 78.3 109.0 131.0
ribosomal protein S6 kinase A4 MSK2/MSK2(RPS6KA4) Hs Inhibitor Inhibition 80.8 111.0 116.0
protein kinase C alpha PKCα/PKCa Hs Inhibitor Inhibition 83.0 112.0 107.0
serine/threonine kinase 39 nd/STK39(STLK3) Hs Inhibitor Inhibition 83.5
mitogen-activated protein kinase 1 MAPK2/ERK2(MAPK1) Hs Inhibitor Inhibition 84.7 116.0 104.0
Displaying the top 10 targets  View all targets in screen »