GSK690693   Click here for help

GtoPdb Ligand ID: 5196

Synonyms: compound 3g [PMID 18800763] | GSK 690693 | GSK-690693
PDB Ligand
Compound class: Synthetic organic
Comment: GSK-690693 is an ATP competitive, pan-AKT kinase inhibitor [2-3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 137.14
Molecular weight 425.22
XLogP 1.99
No. Lipinski's rules broken 0
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Canonical SMILES CCn1c(nc2c1c(OCC1CCCNC1)cnc2C#CC(O)(C)C)c1nonc1N
Isomeric SMILES CCn1c(nc2c1c(OC[C@H]1CCCNC1)cnc2C#CC(O)(C)C)c1nonc1N
InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1

Large-scale screening data

DiscoveRx KINOMEscan® screen Click here for help
A screen of 72 inhibitors against 456 human kinases. Quantitative data were derived using DiscoveRx KINOMEscan® platform.
Reference: 1,4

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Value Parameter
AKT serine/threonine kinase 2 AKT2 Hs Inhibitor Inhibition 8.7 pKd
AKT serine/threonine kinase 1 AKT1 Hs Inhibitor Inhibition 8.7 pKd
protein kinase C eta PRKCH Hs Inhibitor Inhibition 8.6 pKd
AKT serine/threonine kinase 3 AKT3 Hs Inhibitor Inhibition 8.5 pKd
Protein kinase G (PKG) 2 PRKG2 Hs Inhibitor Inhibition 8.5 pKd
protein kinase C epsilon PRKCE Hs Inhibitor Inhibition 8.3 pKd
protein kinase X-linked PRKX Hs Inhibitor Inhibition 8.1 pKd
p21 (RAC1) activated kinase 5 PAK7 Hs Inhibitor Inhibition 8.1 pKd
protein kinase, cAMP-dependent, catalytic, beta subunit PKAC-beta Hs Inhibitor Inhibition 7.9 pKd
protein kinase C theta PRKCQ Hs Inhibitor Inhibition 7.8 pKd
Displaying the top 10 targets  View all targets in screen »