Molecule Details
| InChIKey | FJLBFSROUSIWMA-UHFFFAOYSA-N |
|---|---|
| Compound Name | Metyrapone |
| Canonical SMILES | CC(C)(C(=O)c1cccnc1)c1cccnc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.22 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01011 |
|---|---|
| Drug Name | Metyrapone |
| CAS Number | 54-36-4 |
| Groups | approved investigational |
| ATC Codes | V04CD01 |
| Description | An inhibitor of the enzyme steroid 11-beta-monooxygenase. It is used as a test of the feedback hypothalamic-pituitary mechanism in the diagnosis of cushing syndrome. |
Categories: Cytochrome P-450 CYP2A6 Inhibitors Cytochrome P-450 CYP2A6 Inhibitors (strength unknown) Cytochrome P-450 CYP2E1 Inhibitors Cytochrome P-450 CYP2E1 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Diagnostic Agents Drugs that are Mainly Renally Excreted Enzyme Inhibitors Noxae Pyridines Steroid Synthesis Inhibitors Tests for Pituitary Function Toxic Actions
Cross-references: BindingDB: 50028166 ChEBI: 44241 CHEMBL934 ChemSpider: 4030 C07205 D00410 PDB: MYT PharmGKB: PA450486 PubChem:4174 PubChem:46504862 RxCUI: 6923 Therapeutic Targets Database: DAP000424 Wikipedia: Metyrapone ZINC: ZINC000000001728
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11511 | CYP19A1 | Homo sapiens | Human | PF00067 | 7.8 | IC50 | BindingDB |
| P15538 | CYP11B1 | Homo sapiens | Human | PF00067 | 7.8 | IC50 | ChEMBL;BindingDB |
| P19099 | CYP11B2 | Homo sapiens | Human | PF00067 | 7.1 | IC50 | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.1 | IC50 | ChEMBL |
DrugBank Target Actions (9)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P05181 | CYP2E1 | Cytochrome P450 2E1 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P11509 | CYP2A6 | Cytochrome P450 2A6 | inhibitor | enzymes |
| P15538 | CYP11B1 | Cytochrome P450 11B1, mitochondrial | inhibitor | enzymes |
| P19099 | CYP11B2 | Cytochrome P450 11B2, mitochondrial | inhibitor | enzymes |
| P15538 | CYP11B1 | Cytochrome P450 11B1, mitochondrial | inhibitor | targets |
| P00183 | P00183 | Camphor 5-monooxygenase | other/unknown | targets |
| O15438 | ABCC3 | ATP-binding cassette sub-family C member 3 | inducer | transporters |