Akt inhibitor VIII   Click here for help

GtoPdb Ligand ID: 5921

Synonyms: isozyme-selective, Akti-1/2
PDB Ligand
Compound class: Synthetic organic
Comment: Akt Inhibitor VIII (compound 16h [3]) is a cell-permeable quinoxaline compound that has been shown to potently, selectively, allosterically, and reversibly inhibit Akt (protein kinase B), with selectivity for Akt1/2 over Akt3 [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 2
Rotatable bonds 5
Topological polar surface area 95.49
Molecular weight 551.24
XLogP 5
No. Lipinski's rules broken 1
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Canonical SMILES O=c1[nH]c2c(n1C1CCN(CC1)Cc1ccc(cc1)c1nc3cc4[nH]cnc4cc3nc1c1ccccc1)cccc2
Isomeric SMILES O=c1[nH]c2c(n1C1CCN(CC1)Cc1ccc(cc1)c1nc3cc4[nH]cnc4cc3nc1c1ccccc1)cccc2
InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
AKT serine/threonine kinase 1 Primary target of this compound Hs Allosteric modulator Negative 7.2 pIC50 - 3
pIC50 7.2 (IC50 5.8x10-8 M) [3]
AKT serine/threonine kinase 2 Primary target of this compound Hs Allosteric modulator Negative 6.7 pIC50 - 3
pIC50 6.7 (IC50 2.1x10-7 M) [3]
AKT serine/threonine kinase 3 Hs Allosteric modulator Negative 5.7 pIC50 - 3
pIC50 5.7 (IC50 2.119x10-6 M) [3]