TRICIRIBINE PHOSPHATE

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Synonyms
Status
Molecule Category Free-form
UNII 5L5GE3DV88
EPA CompTox DTXSID30210993
Parent Compound:

Structure

InChI Key URLYINUFLXOMHP-HTVVRFAVSA-N
Smiles 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

Mechanism of Action Action Reference
Serine/threonine-protein kinase AKT inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 40-40 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 800-800 - - -
Human immunodeficiency virus
- 10 - - -
Human immunodeficiency virus 1
- 20 - - -
Human immunodeficiency virus 2
- 20 - - -
Mus musculus
- 25 - - -

Target Conservation

Protein: Serine/threonine-protein kinase AKT
Description: RAC-alpha serine/threonine-protein kinase
Organism : Homo sapiens
P31749 ENSG00000142208
Protein: Serine/threonine-protein kinase AKT
Description: RAC-beta serine/threonine-protein kinase
Organism : Homo sapiens
P31751 ENSG00000105221
Protein: Serine/threonine-protein kinase AKT
Description: RAC-gamma serine/threonine-protein kinase
Organism : Homo sapiens
Q9Y243 ENSG00000117020

Cross References

Resources Reference
ChEMBL CHEMBL462018
DrugBank DB14636
FDA SRS 5L5GE3DV88
PDB TR5
PubChem 43860
SureChEMBL SCHEMBL4541
ZINC ZINC000003916663
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