Molecule Details
| InChIKey | MUMGGOZAMZWBJJ-DYKIIFRCSA-N |
|---|---|
| Compound Name | Testosterone |
| Canonical SMILES | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.44 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00624 |
|---|---|
| Drug Name | Testosterone |
| CAS Number | 58-22-0 |
| Groups | approved investigational |
| ATC Codes | G03BA03 G03EA02 |
| Description | Testosterone is a steroid sex hormone indicated to treat primary hypogonadism and hypogonadotropic hypogonadism.[L8983,L8935,L8938,L8986,L8989,L8992,L8995] Testosterone antagonizes the androgen receptor to induce gene expression that causes the growth and development of masculine sex organs and seco... |
Categories: 3-Oxoandrosten (4) Derivatives Anabolic Steroids Androgens Androgens and Estrogens Androstanes Androstenes Androstenols BCRP/ABCG2 Substrates Cytochrome P-450 CYP1A1 Substrates Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Fused-Ring Compounds Genito Urinary System and Sex Hormones Gonadal Hormones Gonadal Steroid Hormones Hormones Hormones, Hormone Substitutes, and Hormone Antagonists OAT3/SLC22A8 Inducers OATP1B3 substrates P-glycoprotein inhibitors Sex Hormones and Modulators of the Genital System Steroids Testosterone Congeners Testosterone and derivatives Thyroxine-binding globulin inhibitors
Cross-references: BindingDB: 8885 ChEBI: 17347 CHEMBL386630 ChemSpider: 5791 Drugs Product Database (DPD): 7486 Guide to Pharmacology: 2858 IUPHAR: 2858 C00535 D00075 PDB: TES PharmGKB: PA451627 PubChem:6013 PubChem:46505691 RxCUI: 10379 Therapeutic Targets Database: DAP000841 Wikipedia: Testosterone ZINC: ZINC000118912393
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04278 | SHBG | Homo sapiens | Human | PF00054 | 8.5 | IC50 | ChEMBL;BindingDB |
| P10275 | AR | Homo sapiens | Human | PF02166 PF00104 PF00105 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q13936 | CACNA1C | Homo sapiens | Human | PF08763 PF16885 PF16905 PF00520 | 7.4 | IC50 | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 7.3 | IC50 | ChEMBL;BindingDB |
| P08185 | SERPINA6 | Homo sapiens | Human | PF00079 | 6.7 | Ki | ChEMBL;BindingDB |
| P11511 | CYP19A1 | Homo sapiens | Human | PF00067 | 6.2 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (25)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P04278 | SHBG | Sex hormone-binding globulin | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P21397 | MAOA | Amine oxidase [flavin-containing] A | inducer | enzymes |
| P05108 | P05108 | Cholesterol side-chain cleavage enzyme, mitochondrial | inhibitor | enzymes |
| P04798 | CYP1A1 | Cytochrome P450 1A1 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P11511 | CYP19A1 | Aromatase | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P24462 | CYP3A7 | Cytochrome P450 3A7 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| Q16678 | CYP1B1 | Cytochrome P450 1B1 | substrate | enzymes |
| Q16696 | CYP2A13 | Cytochrome P450 2A13 | substrate | enzymes |
| Q9HB55 | CYP3A43 | Cytochrome P450 3A43 | substrate | enzymes |
| P10275 | AR | Androgen receptor | agonist | targets |
| P03372 | ESR1 | Estrogen receptor | inhibitor | targets |
| P08235 | NR3C2 | Mineralocorticoid receptor | ligand | targets |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | inducer | transporters |
| Q14973 | SLC10A1 | Hepatic sodium/bile acid cotransporter | inhibitor | transporters |
| Q9Y694 | Q9Y694 | Solute carrier family 22 member 7 | inhibitor | transporters |
| Q9NPD5 | SLCO1B3 | Solute carrier organic anion transporter family member 1B3 | substrate | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | substrate | transporters |