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

General Information of Drug (ID: DR5334)
Drug Name
GS-7340
Prodrug Info GS-7340 is the prodrug of Tenofovir(TFV)
Synonyms Tenofovir alafenamide; Vemlidy
Indication Hepatitis B virus infection [ICD11: 1E50-1E51] Approved [1]
Human immunodeficiency virus infection [ICD11: ICD11: 1C60-1C62] Phase 2 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 476.5 Topological Polar Surface Area 144
Heavy Atom Count 33 Rotatable Bond Count 12
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
9574768
ChEBI ID
CHEBI:90926
CAS Number
379270-37-8
TTD Drug ID
D0D1BR
Formula
C21H29N6O5P
Canonical SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3
InChI
InChI=1S/C21H29N6O5P/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24)/t15-,16+,33+/m1/s1
InChIKey
LDEKQSIMHVQZJK-CAQYMETFSA-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
Ala-TFV DM018658 N. A. Unclear - Unclear 1 [4]
Tenofovir(TFV) DM000500
464205
Unclear - Unclear 2 [4] , [3]
Tenofovir-DP DM000501
5481180
Unclear - Unclear 3 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010850 GS-7340 Ala-TFV Unclear - Unclear Unclear [4]
MR010851 Ala-TFV Tenofovir(TFV) Unclear - Unclear CYP3A4 [4], [3]
MR010852 Tenofovir(TFV) Tenofovir-DP Unclear - Unclear Unclear [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2020
2 ClinicalTrials.gov (NCT01565850) Safety and Efficacy of Darunavir/Cobicistat/Emtricitabine/GS-7340 Single Tablet Regimen Versus Cobicistat-boosted Darunavir Plus Emtricitabine/Tenofovir Disoproxil Fumarate Fixed Dose Combination in HIV-1 Infected, Antiretroviral Treatment Naive Adults. U.S. National Institutes of Health.
3 Tenofovir alafenamide in the treatment of chronic hepatitis B virus infection: rationale and clinical trial evidence
4 Implications of efficient hepatic delivery by tenofovir alafenamide (GS-7340) for hepatitis B virus therapy

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