metyrapone

Ligand id: 5224

Name: metyrapone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 42.85
Molecular weight 226.11
XLogP 2.11
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1961))
IUPAC Name
2-methyl-1,2-bis(pyridin-3-yl)propan-1-one
International Nonproprietary Names
INN number INN
1404 metyrapone
Synonyms
mepyrapone | Metopirone®
Database Links
CAS Registry No. 54-36-4
ChEBI CHEBI:44241
ChEMBL Ligand CHEMBL934
DrugBank Ligand DB01011
PubChem CID 4174
RCSB PDB Ligand MYT
Search Google for chemical match using the InChIKey FJLBFSROUSIWMA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FJLBFSROUSIWMA
Search PubMed clinical trials metyrapone
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Search UniChem for chemical match using the InChIKey FJLBFSROUSIWMA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FJLBFSROUSIWMA
Wikipedia Metyrapone
Comments
Metyrapone is a reversible inhibitor of steroid 11β-hydroxylase (gene symbol CYP11B1).