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CHEBI:34988 - sulmazole

ChEBI IDCHEBI:34988
ChEBI Namesulmazole
Stars
DefinitionAn imidazopyridine that is 1H-imidazo[4,5-b]pyridine which is substituted at position 2 by a 2-methoxy-4-(methylsulfinyl)phenyl group. An A1 adenosine receptor antagonist, it was formerly used as a cardiotonic agent.
Last Modified22 February 2017
DownloadsMolfile
FormulaC14H13N3O2S
Net Charge0
Average Mass287.344
Monoisotopic Mass287.07285
SMILESCOc1cc(S(C)=O)ccc1-c1nc2cccnc2n1
InChIInChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)
InChIKeyXMFCOYRWYYXZMY-UHFFFAOYSA-N
Roles Classification
Biological Roles:
adenosine A1 receptor antagonist  An antagonist at the A1 receptor.
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor  An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a phosphoric diester hydrolase (EC 3.1.4.*).
Application:
cardiotonic drug  A drug that has a strengthening effect on the heart or that can increase cardiac output.
ChEBI Ontology
Outgoing Relation(s)
sulmazole (CHEBI:34988) has role adenosine A1 receptor antagonist (CHEBI:63957)
sulmazole (CHEBI:34988) has role cardiotonic drug (CHEBI:38147)
sulmazole (CHEBI:34988) has role EC 3.1.4.* (phosphoric diester hydrolase) inhibitor (CHEBI:50218)
sulmazole (CHEBI:34988) is a imidazopyridine (CHEBI:46908)
sulmazole (CHEBI:34988) is a sulfoxide (CHEBI:22063)
IUPAC Name 
2-[2-methoxy-4-(methylsulfinyl)phenyl]-1H-imidazo[4,5-b]pyridine
INNs  Source
sulmazoleChemIDplus
sulmazolChemIDplus
sulmazolumChemIDplus
Synonym  Source
2-[2-methoxy-4-(methylsulfinyl)phenyl]-3H-imidazo[4,5-b]pyridineChemIDplus
Manual XrefsDatabases
C13749KEGG COMPOUND
US3985891Patent
NL7401254Patent
LSM-4362LINCS
3574DrugCentral
Registry NumbersSources
CAS:73384-60-8KEGG COMPOUND
CAS:73384-60-8ChemIDplus