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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:92623
CAS Number: 25717-80-0
DrugBank ID: DB09282
TTD ID: D08VXL
INTEDE ID: DR1105

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Frataxin, mitochondrial (FXN)	OTE9U09A	FRDA_HUMAN	Gene/Protein Processing	[5]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.