| Compound Information | SONAR Target prediction |
| Name: | TESTOSTERONE |
| Unique Identifier: | SPE00307023 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 260.202 g/mol |
| X log p: | 1.484 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 17.07 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 2 |
| Rotatable Bond Count: | 0 |
| Canonical Smiles: | CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2O |
| Source: | mamallian male hormone |
| Therapeutics: | androgen, antineoplastic |
| Generic_name: | Testosterone |
| Chemical_iupac_name: | 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopen ta[a]phenanthren-3-one |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA451627 |
| Kegg_compound_id: | C00535 |
| Drugbank_id: | APRD00433 |
| Melting_point: | 155 oC |
| H2o_solubility: | 23.4 mg/L |
| Logp: | 3.518 |
| Cas_registry_number: | 58-22-0 |
| Mass_spectrum: | http://webbook.nist.gov/cgi/cbook.cgi?Spec=C58220&Index=0&Type=Mass&Large=on |
| Drug_category: | Antineoplastic Agents; Anabolic Agents; Androgens; ATC:G03BA02; ATC:G03BA03; ATC:G03EK01 |
| Indication: | For topical testosterone replacement therapy in males with deficiency or absence of testosterone |
| Pharmacology: | Testosterone is an antineoplastic hormonal agent primarily used in the treatment of prostate cancer. Testosterone is a pure, nonsteroidal anti-androgen with affinity for androgen receptors (but not for progestogen, estrogen, or glucocorticoid receptors). Consequently, Testosterone blocks the action of androgens of adrenal and testicular origin which stimulate the growth of normal and malignant prostatic tissue. Prostate cancer is mostly androgen-dependent and can be treated with surgical or chemical castration. To date, antiandrogen monotherapy has not consistently been shown to be equivalent to castration. |
| Mechanism_of_action: | Testosterone competes with androgen for the binding of androgen receptors, consequently blocking the action of androgens of adrenal and testicular origin which stimulate the growth of normal and malignant prostatic tissue. |
| Organisms_affected: | Humans and other mammals |
| Found: 1 active | as graph: single | with analogs |
| Species: | 4932 |
| Condition: | pdr_yCG196 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.5425±0.000707107 |
| Normalized OD Score: sc h | 0.7404±0.0122202 |
| Z-Score: | -8.6844±0.474603 |
| p-Value: | 3.45846e-17 |
| Z-Factor: | 0.576 |
| Fitness Defect: | 37.9031 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 226 | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [38] |
| 102146 | (7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,10,13,17-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclo penta[a]phenanthren-3-one |
| 119839 | 17-hydroxy-4,10,13,17-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one |
| 129071 | (3S,5S,9R,10R,13R)-3-hydroxy-17-[(2R)-5-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11, 12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one |
| 129075 | (9R,10R,13R)-3-hydroxy-17-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16, 17-dodecahydrocyclopenta[a]phenanthren-15-one |
| 130738 | (3S,5S,9R,10R,13R,17R)-3-hydroxy-17-[(2R)-7-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9 ,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one |
| 132637 | (3S,5S,9R,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,4,5,6,7,9,11,12,1 6,17-dodecahydrocyclopenta[a]phenanthren-15-one |
| internal high similarity DBLink | Rows returned: 15 | 1 2 3 Next >> |
| SPE01500380 | 0.9167 |
| NRB 03831 | 0.9167 |
| LOPAC 01179 | 0.9362 |
| LOPAC 00951 | 0.9565 |
| SPE01500990 | 0.9565 |
| SPE01500989 | 0.9565 |
| nonactive | Cluster 2094 | Additional Members: 20 | Rows returned: 13 | 1 2 3 Next >> |
| SPE01505121 | 0.468354430379747 |
| SPE00270067 | 0.463414634146341 |
| SPE01505219 | 0.422535211267606 |
| Prest432 | 0.375 |
| SPE00300034 | 0.375 |
| SPE00300029 | 0.285714285714286 |
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