CHEBI:44241 - metyrapone

ChEBI IDCHEBI:44241
ChEBI Namemetyrapone
Stars
DefinitionAn aromatic ketone that is 3,3-dimethylbutan-2-one in which the methyl groups at positions 1 and 4 are replaced by pyridin-3-yl groups. A steroid 11β-monooxygenase (EC 1.14.15.4) inhibitor, it is used in the diagnosis of adrenal insufficiency.
Secondary ChEBI IDsCHEBI:6911, CHEBI:44238
Last Modified22 February 2017
DownloadsMolfile
FormulaC14H14N2O
Net Charge0
Average Mass226.279
Monoisotopic Mass226.11061
SMILESCC(C)(C(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
InChIKeyFJLBFSROUSIWMA-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
antimetabolite  A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization.
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor  An EC 1.14.15.* (oxidoreductase acting on paired donors, with reduced iron-sulfur protein as one donor, incorporating 1 atom of oxygen) inhibitor that interferes with the action of steroid 11β-monooxygenase (EC 1.14.15.4).
Application:
diagnostic agent  A substance administered to aid diagnosis of a disease.
ChEBI Ontology
Outgoing Relation(s)
metyrapone (CHEBI:44241) has role antimetabolite (CHEBI:35221)
metyrapone (CHEBI:44241) has role diagnostic agent (CHEBI:33295)
metyrapone (CHEBI:44241) has role EC 1.14.15.4 (steroid 11β-monooxygenase) inhibitor (CHEBI:76798)
metyrapone (CHEBI:44241) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
2-methyl-1,2-dipyridin-3-ylpropan-1-one
INNs  Source
metyraponeChemIDplus
metiraponaChemIDplus
metyraponumChemIDplus
métyraponeWHO MedNet
Synonyms  Source
MetyraponeKEGG COMPOUND
METYRAPONEPDBeChem
Brand Names  Source
MetopironeDrugBank
MetopironDrugBank
Manual XrefsDatabases
C07205KEGG COMPOUND
MYTPDBeChem
D00410KEGG DRUG
DB01011DrugBank
US2966493Patent
MetyraponeWikipedia
LSM-3035LINCS
1791DrugCentral
Registry NumbersSources
Beilstein:163023Beilstein
Reaxys:163023Reaxys
CAS:54-36-4KEGG COMPOUND
CAS:54-36-4ChemIDplus