triciribine   Click here for help

GtoPdb Ligand ID: 5920

Synonyms: Akt inhibitor V | Akt/protein kinase B signaling inhibitor-2 | API-2 | NSC-154020 | tricyclic nucleoside (TCN)
Compound class: Synthetic organic
Comment: The ligand image above represents this compound as used in the screens listed, and does not specify stereochemistry. The INN-assigned compound triciribine does have defined stereocentres and is represented by CID 65399.
Triciribine is an inhibitor of Akt signalling [3], HIV-1/2 [4], DNA synthesis [5] and exhibits in vitro and in vivo antitumour effects [6].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 144.47
Molecular weight 320.12
XLogP 0.69
No. Lipinski's rules broken 0
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Canonical SMILES OCC1OC(C(C1O)O)n1cc2c3c1ncnc3n(nc2N)C
Isomeric SMILES OCC1OC(C(C1O)O)n1cc2c3c1ncnc3n(nc2N)C
InChI InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)
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Molecular structure representations generated using Open Babel