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

General Information of Drug (ID: DR2995)
Drug Name
Lodenosine
Synonyms FddA; FddI; F-ddN; Fdd analogs, NIH/US Bioscience
Indication Human immunodeficiency virus infection [ICD11: 1C60-1C62] Discontinued in Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 253.23 Topological Polar Surface Area 99.1
Heavy Atom Count 18 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
72180
CAS Number
110143-10-7
TTD Drug ID
D06HKB
Formula
C10H12FN5O2
Canonical SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C10H12FN5O2/c11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10,17H,1-2H2,(H2,12,13,14)/t5-,6-,10+/m0/s1
InChIKey
KBEMFSMODRNJHE-JFWOZONXSA-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
F-ddI DM016643
135542159
Unclear - Unclear 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008412 Lodenosine F-ddI Unclear - Unclear Unclear [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A7 (CYP3A7) DME0015 Homo sapiens
CP3A7_HUMAN
1.14.14.1
[2]
Deoxycytidine kinase (DCK) DME0443 Homo sapiens
DCK_HUMAN
2.7.1.74
[3]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800005453)
2 Identification of Selective CYP3A7 and CYP3A4 Substrates and Inhibitors Using a High-Throughput Screening Platform. Front Pharmacol. 2022 Jul 1;13:899536. doi: 10.3389/fphar.2022.899536.
3 Circulating purine compounds, uric acid, and xanthine oxidase/dehydrogenase relationship in essential hypertension and end stage renal disease. Ren Fail. 2014 May;36(4):613-8. doi: 10.3109/0886022X.2014.882240.
4 Determination of lodenosine and its major metabolite in human plasma by liquid chromatography/electrospray ionization tandem mass spectrometry

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