Molecular Identity
Triciribine
(2R,3R,4S,5R)-2-(5-amino-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID: 65399
Triciribine is a nucleoside analogue in which the nucleobase portion is a 1,4,5,6,8-pentaazaacenaphthylene ring system substituted with an amino group at position 3, and a methyl group at position 5 and is bound to the beta-D-ribofuranosyl moiety by an N1-glycosidic linkage. It has a role as an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor.
2D Structure
Properties
C13H16N6O4
Molecular Formula
320.30
Molecular Weight
g/mol
320.1233
Exact Mass
Da
-1.6
XLogP
Drug-like (Lipinski: < 5)
142
TPSA
May have limited oral absorption
4
H-Bond Donors
8
H-Bond Acceptors
507
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Triciribine35943-35-2PentaazacentopthyleneTriciribinaTriciribinumNSC 154020NSC-1540202421HMY9N61,4,5,6,8-Pentaazaacenaphthylen-3-amine, 1,5-dihydro-5-methyl-1-beta-D-ribofuranosyl-CHEBI:653103-Amino-1,5-dihydro-5-methyl-1-beta-D-ribofuranosyl-1,4,5,6,8-pentaazaacenaphthylene5-methyl-1-(beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine6-ARPPPRefChem:9333606-amino-4-methyl-8-(beta-D-ribofuranosyl)-(4H,8H)pyrrolo(4,3,2-de)pyrimido(4,5-c)pyridazine
Data from PubChem (NCBI)
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