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].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
SMILES / InChI / InChIKey
Click here for help
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)
InChI Key BIWGYFZAEWGBAL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-{1-[(4-{6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl}phenyl)methyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
Synonyms Click here for help
isozyme-selective, Akti-1/2
Database Links Click here for help
CAS Registry No. 612847-09-3
ChEMBL Ligand CHEMBL258844
GtoPdb PubChem SID 178102544
PubChem CID 10196499
RCSB PDB Ligand IQO
Search Google for chemical match using the InChIKey BIWGYFZAEWGBAL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BIWGYFZAEWGBAL
Search UniChem for chemical match using the InChIKey BIWGYFZAEWGBAL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BIWGYFZAEWGBAL

Product suppliers

View disclaimer

Tocris
Akti-1/2
Cat. No. 5773