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

General Information of Drug (ID: DR1105)
Drug Name
Molsidomine
Prodrug Info Molsidomine is the prodrug of Linsidomine(Sin-1)
Synonyms
Molsidolat; Molsidomin; Molsidomina [INN-Spanish]; Molsidominum [INN-Latin]; Morial; Motazomin; Coruno; Corvasal; Corvaton; SIN-10; Sydnopharm; molsidomine; morsydomine; 25717-80-0; BRN 3999414; CAS 276; EINECS 247-207-4; MLS000028573; N-(Ethoxycarbonyl)-3-(4-morpholino)sydnone imine; N-Carboxy-3-morpholinosydnone imine ethyl ester; N-Carboxy-3-morpholinosydnonimine ethyl ester; N-Ethoxycarbonyl-3-morpholinosydnonimine; SMR000058990; Sydnone imine, N-(ethoxycarbonyl)-3-(4-morpholinyl)-; UNII-D46583G77X
Indication Angina pectoris [ICD11: BA40] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 242.23 Topological Polar Surface Area 87
Heavy Atom Count 17 Rotatable Bond Count 4
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
5353788
ChEBI ID
CHEBI:92623
CAS Number
25717-80-0
TTD Drug ID
D08VXL
Formula
C9H14N4O4
Canonical SMILES
CCOC(=NC1=C[N+](=NO1)N2CCOCC2)[O-]
InChI
1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3
InChIKey
XLFWDASMENKTKL-UHFFFAOYSA-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
Linsidomine(Sin-1) DM002687
5219
Oxidation - Oxidative Decarboxylation; Esterase Hydrolysis 1 [3] , [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002859 Molsidomine Linsidomine(Sin-1) Oxidation - Oxidative Decarboxylation; Esterase Hydrolysis PDE5A [3], [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Phosphodiesterase 5A (PDE5A) DME0195 Homo sapiens
PDE5A_HUMAN
3.1.4.35
[2]
References
1 ClinicalTrials.gov (NCT01363661) Effect of Molsidomine on the Endothelial (Internal Layer of Blood Vessels) Dysfunction in Patients With Angina Pectoris.
2 DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082. (id: DB09282)
3 Molsidomine, a nitric oxide donor, modulates rotational behavior and monoamine metabolism in 6-OHDA lesioned rats treated chronically with L-DOPA Neurochem Int. 2013 Dec;63(8):790-804. doi: 10.1016/j.neuint.2013.09.021.
4 Determination of molsidomine and its active metabolite in human plasma using liquid chromatography with tandem mass spectrometric detection J Chromatogr A. 1998 Sep 11;819(1-2):113-23. doi: 10.1016/s0021-9673(98)00323-9.

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