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

General Information of Drug (ID: DR3430)
Drug Name
CS-8958
Prodrug Info CS-8958 is the prodrug of Laninamivir
Synonyms Inavir; Laninamivir octanoate; R-118958
Indication Influenza virus infection [ICD11: 1E30-1E32] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 472.5 Topological Polar Surface Area 196
Heavy Atom Count 33 Rotatable Bond Count 15
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
9847629
ChEBI ID
CHEBI:134741
CAS Number
203120-46-1
TTD Drug ID
D04VSM
Formula
C21H36N4O8
Canonical SMILES
CCCCCCCC(=O)OC[C@H]([C@H]([C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)OC)O
InChI
InChI=1S/C21H36N4O8/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25)/t13-,14+,17+,18+,19+/m0/s1
InChIKey
UKTIJASCFRNWCB-RMIBSVFLSA-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
Laninamivir DM020056
502272
Hydrolysis - Hydrolyzation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR014195 Laninamivir octanoate Laninamivir Hydrolysis - Hydrolyzation ES [2]
References
1 ClinicalTrials.gov (NCT00803595) A Multinational Phase III Study of CS-8958 (MARVEL). U.S. National Institutes of Health.
2 Laninamivir octanoate: a new long-acting neuraminidase inhibitor for the treatment of influenza

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