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

General Information of Drug (ID: DR3155)
Drug Name
TCN-P
Synonyms
TRICIRIBINE PHOSPHATE; 61966-08-3; TCN-P; UNII-5L5GE3DV88; Triciribine phosphate [USAN]; Tricirbine Phosphate; NSC-280594; C13H17N6O7P; NSC 280594; Pentaazaacenaphthylene-5' phosphate ester; 5L5GE3DV88; PHOSPHATE SALT OF TRICYCLIC NUCLEOSIDE; 3-Amino-1,5-dihydro-5-methyl-1-beta-D-ribofuranosyl-1,4,5,6,8-pentaazaacenaphthylene 5'-(dihydrogen phosphate); Triciribine phosphate (USAN); VQD-002; TCN-monophosphate; 1,4,5,6,8-Pentaazaacenaphthylen-3-amine, 1,5-dihydro-5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-; NSC280594
Indication Acute myeloid leukaemia [ICD11: 2A60] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 400.28 Topological Polar Surface Area 189
Heavy Atom Count 27 Rotatable Bond Count 4
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 11
Cross-matching ID
PubChem CID
43860
CAS Number
61966-08-3
TTD Drug ID
D07TWK
Formula
C13H17N6O7P
Canonical SMILES
CN1C2=NC=NC3=C2C(=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C(=N1)N
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
InChIKey
URLYINUFLXOMHP-HTVVRFAVSA-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
TCN DM015042
65399
Unclear - Unclear 1 [2] , [3] , [4]
Triciribine phosphate DM005757
43860
Unclear - Unclear 2 [2] , [3] , [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012548 TCN-P TCN Unclear - Unclear Unclear [2], [3], [4]
MR012549 TCN TCN-P Unclear - Unclear Unclear [2], [3], [4]
References
1 ClinicalTrials.gov (NCT00363454) Phase I Study of Triciribine Phosphate Monohydrate (TCN-PM, VD-0002) in Adult Subjects With Metastatic Cancer. U.S. National Institutes of Health.
2 High-performance liquid chromatographic assay of the antineoplastic agent tricyclic nucleoside 5'-phosphate and its disposition in rabbit
3 Mechanism of activation of triciribine phosphate (TCN-P) as a prodrug form of TCN
4 Development and validation of LC/MS/MS method for Triciribine and its monophosphate metabolite in plasma and RBC: Application to mice pharmacokinetic studies

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