Molecule Details
| InChIKey | CCCIJQPRIXGQOE-XWSJACJDSA-N |
|---|---|
| Compound Name | Methyltrienolone |
| Canonical SMILES | C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.93 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02998 |
|---|---|
| Drug Name | Metribolone |
| CAS Number | 965-93-5 |
| Groups | experimental |
| ATC Codes | nan |
| Description | A synthetic non-aromatizable androgen and anabolic steroid. It binds strongly to the androgen receptor and has therefore also been used as an affinity label for this receptor in the prostate and in prostatic tumors. |
Categories: Estranes Estrenes Fused-Ring Compounds Steroids
Cross-references: BindingDB: 50367916 ChEBI: 379896 CHEMBL166444 ChemSpider: 229099 Guide to Pharmacology: 2857 IUPHAR: 2857 C14257 PDB: R18 PubChem:261000 PubChem:46505539 Wikipedia: Metribolone ZINC: ZINC000003814420
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06401 | PGR | Homo sapiens | Human | PF00104 PF02161 PF00105 | 9.3 | Ki | ChEMBL;BindingDB |
| P08235 | NR3C2 | Homo sapiens | Human | PF00104 PF00105 | 9.3 | Ki | ChEMBL;BindingDB |
| P10275 | AR | Homo sapiens | Human | PF02166 PF00104 PF00105 | 9.1 | Kd | ChEMBL;BindingDB |
| P04150 | NR3C1 | Homo sapiens | Human | PF02155 PF00104 PF00105 | 8.0 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P07288 | KLK3 | Prostate-specific antigen | activator | targets |
| P10275 | AR | Androgen receptor | activator | targets |
| P08235 | NR3C2 | Mineralocorticoid receptor | binder | targets |
| Q15596 | NCOA2 | Nuclear receptor coactivator 2 | binder | targets |
| P06401 | PGR | Progesterone receptor | inhibitor | targets |