Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1821)
Drug Name
PTX-200
Synonyms
Akt inhibitor V; SC-89664; tricyclic nucleoside (TCN); 5-methyl-1-pentofuranosyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine; AC1L6DVE; AC1Q7CGY; API-2; Akt Inhibitor V, Triciribine; Akt/PKB Signaling Inhibitor-2; Akt/protein kinase B signaling inhibitor-2; BRD-A42649439-001-01-0; BRD-A42649439-001-02-8; CCG-206732; CHEBI:91697; CHEMBL1892348; GTPL5920; HMS3229A09; HMS3268N05; HMS3654C06; HSCI1_000386; MLS002702033; NCI60_001091; NSC-154020; NSC154020; SCHEMBL61269; SMR001565606; TCN
Indication Breast cancer [ICD11: 2C60] Phase 1/2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 320.3 Topological Polar Surface Area 142
Heavy Atom Count 23 Rotatable Bond Count 2
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
290486
PubChem SID
433272 ; 7536840 ; 8137167 ; 10319591 ; 11405486 ; 26758185 ; 34830899 ; 48020051 ; 57401183 ; 75128850 ; 85787232 ; 92764035 ; 99302615 ; 103145651 ; 104484119 ; 117619685 ; 125824212 ; 126483830 ; 128089449 ; 144224089 ; 162023335 ; 163688643 ; 175607388 ; 178102543 ; 179236156 ; 226442964 ; 242487231
ChEBI ID
CHEBI:91697
CAS Number
35943-35-2
TTD Drug ID
D04GSV
Formula
C13H16N6O4
Canonical SMILES
CN1C2=NC=NC3=C2C(=CN3C4C(C(C(O4)CO)O)O)C(=N1)N
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)
InChIKey
HOGVTUZUJGHKPL-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Triciribine phosphate DM005757
43860
Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006147 PTX-200 Triciribine phosphate Unclear ADK [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Adenosine kinase (ADK) DME0448 Homo sapiens
ADK_HUMAN
2.7.1.20
[2]
References
1 ClinicalTrials.gov (NCT01697293) Triciribine Phosphate, Paclitaxel, Doxorubicin Hydrochloride, and Cyclophosphamide in Treating Patients With Stage IIB-IV Breast Cancer.
2 Phosphorylation of triciribine is necessary for activity against HIV type 1. AIDS Res Hum Retroviruses. 1998 Oct 10;14(15):1315-22.

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