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

General Information of Drug (ID: DR3523)
Drug Name
GS-441524
Synonyms EVO984; EVO-984; EVO 984; GS 441524; GS441524
Indication Coronavirus Disease 2019 (COVID-19) [ICD11: 1D6Y] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 291.26 Topological Polar Surface Area 150
Heavy Atom Count 21 Rotatable Bond Count 2
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
44468216
ChEBI ID
CHEBI:147281
CAS Number
1191237-69-0
TTD Drug ID
D0K7WQ
Formula
C12H13N5O4
Canonical SMILES
C1=C2C(=NC=NN2C(=C1)[C@]3([C@@H]([C@@H]([C@H](O3)CO)O)O)C#N)N
InChI
InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1
InChIKey
BRDWIEOJOWJCLU-LTGWCKQJSA-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
Remdesivir Nucleoside Monophosphate DM005161
162482735
Unclear - Unclear 1 [2]
GS-441524-DP DM017646 N. A. Unclear - Unclear 2 [2]
GS-443902 DM016181
56832906
Unclear - Unclear 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009118 GS-441524 GS-441524-MP Unclear - Unclear Unclear [2]
MR009119 GS-441524-MP GS-441524-DP Unclear - Unclear Unclear [2]
MR009120 GS-441524-DP GS-443902 Unclear - Unclear Unclear [2]
References
1 Current knowledge about the antivirals remdesivir (GS-5734) and GS-441524 as therapeutic options for coronaviruses. One Health. 2020 Mar 27;9:100128.
2 Comparison of anti-SARS-CoV-2 activity and intracellular metabolism of remdesivir and its parent nucleoside

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