Molecule Details
| InChIKey | GCKMFJBGXUYNAG-HLXURNFRSA-N |
|---|---|
| Compound Name | Methyltestosterone |
| Canonical SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.25 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06710 |
|---|---|
| Drug Name | Methyltestosterone |
| CAS Number | 58-18-4 |
| Groups | approved investigational |
| ATC Codes | G03BA02 G03EA01 G03EK01 |
| Description | A synthetic anabolic steroid used for treating men with testosterone deficiency or similar androgen replacement therapies. Also, has antineoplastic properties and so has been used secondarily in women with advanced breast cancer. Methyltestosterone is a schedule III drug in the US. |
Categories: 3-Oxoandrosten (4) Derivatives Anabolic Agents Androgens Androgens and Estrogens Androstanes Androstenes Androstenols Antineoplastic Agents Antineoplastic Agents, Hormonal Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Fused-Ring Compounds Genito Urinary System and Sex Hormones Hormones Hormones, Hormone Substitutes, and Hormone Antagonists OAT3/SLC22A8 Inducers Sex Hormones and Modulators of the Genital System Steroids Testosterone Congeners Thyroxine-binding globulin inhibitors
Cross-references: BindingDB: 50410531 ChEBI: 27436 CHEMBL1395 ChemSpider: 5788 Drugs Product Database (DPD): 7497 C07198 D00408 PharmGKB: PA165958383 PubChem:6010 PubChem:99443262 RxCUI: 6904 Wikipedia: Methyltestosterone ZINC: ZINC000003814422
Target Activities (2)
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P04278 | SHBG | Sex hormone-binding globulin | binder | carriers |
| P11511 | CYP19A1 | Aromatase | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P11511 | CYP19A1 | Aromatase | substrate | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | substrate | enzymes |
| P10275 | AR | Androgen receptor | agonist | targets |
| P03372 | ESR1 | Estrogen receptor | partial agonist | targets |
| P46721 | P46721 | Solute carrier organic anion transporter family member 1A2 | inducer | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | inducer | transporters |
| P46721 | P46721 | Solute carrier organic anion transporter family member 1A2 | inhibitor | transporters |