Details of the Drug

General Information of Drug (ID: DM9MA8O)

Drug Name
Molsidomine
Synonyms
molsidomine; morsydomine; Corvaton; 25717-80-0; Molsidolat; Motazomin; SIN-10; Sydnopharm; Morial; N-Ethoxycarbonyl-3-morpholinosydnonimine; Molsidominum [INN-Latin]; Molsidomina [INN-Spanish]; Molsidomin; MLS000028573; UNII-D46583G77X; CAS 276; EINECS 247-207-4; BRN 3999414; SMR000058990; Sydnone imine, N-(ethoxycarbonyl)-3-(4-morpholinyl)-; N-Carboxy-3-morpholinosydnonimine ethyl ester; N-Carboxy-3-morpholinosydnone imine ethyl ester; N-(Ethoxycarbonyl)-3-(4-morpholino)sydnone imine; Corvasal; Coruno; Sydnone imine, N-carboxy-3-m
Indication
Disease Entry ICD 11 Status REF
Angina pectoris BA40 Approved [1]
ATC Code
C01DX12: Molsidomine
C01DX: Other vasodilators used in cardiac diseases
C01D: VASODILATORS USED IN CARDIAC DISEASES
C01: CARDIAC THERAPY
C: CARDIOVASCULAR SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 242.23
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
ADMET Property
Clearance
The drug present in the plasma can be removed from the body at the rate of 11 mL/min/kg [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 1.6 hours [2]
Metabolism
The drug is metabolized via the hepatic []
Unbound Fraction
The unbound fraction of drug in plasma is 1% [2]
Vd
The volume of distribution (Vd) of drug is 98 L [3]
Chemical Identifiers
Formula
C9H14N4O4
IUPAC Name
(1E)-1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate
Canonical SMILES
CCO/C(=N/C1=C[N+](=NO1)N2CCOCC2)/[O-]
InChI
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
Cross-matching ID
PubChem CID
5353788
ChEBI ID
CHEMBL92623
CAS Number
25717-80-0
UNII
D46583G77X
DrugBank ID
DB09282
TTD ID
D08VXL
INTEDE ID
DR1105
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Phosphodiesterase 5A (PDE5A)
Main DME 		DE37ABY PDE5A_HUMAN Substrate [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Frataxin, mitochondrial (FXN) OTE9U09A FRDA_HUMAN Gene/Protein Processing [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Molsidomine
4 DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082. (id: DB09282)
5 Pharmacological screening using an FXN-EGFP cellular genomic reporter assay for the therapy of Friedreich ataxia. PLoS One. 2013;8(2):e55940.