TRICIRIBINE PHOSPHATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Salt
UNII: 5L5GE3DV88
Parent Compound: TRICIRIBINE

Structure
InChI Key URLYINUFLXOMHP-HTVVRFAVSA-N
Smile CN1N=C(N)c2cn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c3ncnc1c23
InChI
InChI=1S/C13H17N6O7P/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(21)8(20)6(26-13)3-25-27(22,23)24/h2,4,6,8-9,13,20-21H,3H2,1H3,(H2,14,17)(H2,22,23,24)/t6-,8-,9-,13-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H17N6O7P
Molecular Weight 400.29
AlogP -1.77
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 188.78
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Serine/threonine-protein kinase AKT inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 40-40 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Ovarian Neoplasms 1 D010051 ClinicalTrials

Related Entries

Parent

Cross References

Resources Reference
CAS NUMBER 61966-08-3
ChEMBL CHEMBL462018
DrugBank DB14636
EPA CompTox DTXSID30210993
FDA SRS 5L5GE3DV88
PDB TR5
PubChem 43860
SureChEMBL SCHEMBL4541
ZINC ZINC000003916663
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