CHEBI:44241 - metyrapone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name metyrapone
ChEBI ID CHEBI:44241
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:44238, CHEBI:6911
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C14H14N2O
Net Charge 0
Average Mass 226.27380
Monoisotopic Mass 226.111
InChI InChI=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
InChIKey FJLBFSROUSIWMA-UHFFFAOYSA-N
SMILES CC(C)(C(=O)c1cccnc1)c1cccnc1
Roles Classification
Biological Role(s): 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 11beta-monooxygenase (EC 1.14.15.4).
Application(s): diagnostic agent
A substance administered to aid diagnosis of a disease.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
metirapona ChemIDplus
métyrapone WHO MedNet
metyrapone ChemIDplus
metyraponum ChemIDplus
Synonyms Sources
Metyrapone KEGG COMPOUND
METYRAPONE PDBeChem
Brand Names Sources
Metopiron DrugBank
Metopirone DrugBank
Database Links Databases
1791 DrugCentral
C07205 KEGG COMPOUND
D00410 KEGG DRUG
DB01011 DrugBank
LSM-3035 LINCS
Metyrapone Wikipedia
MYT PDBeChem
US2966493 Patent
View more database links
Registry Numbers Types Sources
163023 Beilstein Registry Number Beilstein
163023 Reaxys Registry Number Reaxys
54-36-4 CAS Registry Number ChemIDplus
Last Modified
22 February 2017