Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5200)
Drug Name
Metyrapone
Synonyms
MYT; Mepyrapone; Metapirone; Metapyron; Methapyrapone; Methbipyranone; Methopirapone; Methopyrapone; Methopyrinine; Methopyrone; Metirapona; Metopiron; Metopirone; Metopyrone; Metroprione; Metyrapon; Metyraponum; Alliance Brand of Metyrapone; Metyrapone Alliance Brand; Metyrapone Novartis Brand; Novartis Brand of Metyrapone; Su 4885; METOPIRONE (TN); Metirapona [INN-Spanish]; Metopirone (TN); Metyraponum [INN-Latin]; Su-4885; Metyrapone (JP15/USP/INN); Metyrapone [USAN:INN:BAN:JAN]; 1,2-Di-3-pyridyl-2-methyl-1-propanone; 2-Methyl-1,2-bis(3-pyridyl)-1-propanone; 2-Methyl-1,2-di-3-pyridinyl-1-propanone; 2-Methyl-1,2-di-3-pyridyl-1-propanone; 2-methyl-1,2-dipyridin-3-yl-propan-1-one; 2-methyl-1,2-dipyridin-3-ylpropan-1-one
Indication Cushing syndrome [ICD11: 5A70] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 226.27 Topological Polar Surface Area 42.8
Heavy Atom Count 17 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
4174
ChEBI ID
CHEBI:44241
CAS Number
54-36-4
TTD Drug ID
D0Q9JT
Formula
C14H14N2O
Canonical SMILES
CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2
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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Metyrapol DM015216
161210
Reduction - Reduction 1 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007798 Metyrapone Metyrapol Reduction - Reduction Unclear [5]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
11-beta-hydroxysteroid dehydrogenase (Hsd11b2) DMEN856 Rattus norvegicus
DHI2_RAT
1.1.1.-
[2]
3alpha-Hydroxysteroid dehydrogenase (hsd3A) DMEN858 Oryctolagus cuniculus Not Available Not Available [3]
Aldo-keto reductase 1A1 (AKR1A1) DME0098 Homo sapiens
AK1A1_HUMAN
1.1.1.2
[2]
NADPH-dependent carbonyl reductase (Dhrs4) DMEN857 Mus musculus
DHRS4_MOUSE
1.1.1.184
[4]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5224).
2 Oral pharmacokinetics and in-vitro metabolism of metyrapone in male rats
3 Functional expression, purification, and characterization of 3alpha-hydroxysteroid dehydrogenase/carbonyl reductase from Comamonas testosteroni
4 Reductive metabolism of metyrapone by a quercitrin-sensitive ketone reductase in mouse liver cytosol
5 DrugBank(Pharmacology-Metabolism):Metyrapone

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