| Compound Information | SONAR Target prediction |
| Name: | 5alpha-ANDROSTAN-3,17-DIONE |
| Unique Identifier: | SPE00107108 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 261.21 g/mol |
| X log p: | -0.364 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 34.14 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 2 |
| Rotatable Bond Count: | 0 |
| Canonical Smiles: | CC12CCC(=O)CC1CCC1C2CCC2(C)C1CCC2=O |
| Class: | sterol |
| Source: | human urine & adrenal cortex |
| Therapeutics: | androgen |
| Generic_name: | 5ALPHA-ANDROSTAN-3,17-DIONE |
| Chemical_iupac_name: | 5ALPHA-ANDROSTAN-3,17-DIONE |
| Drug_type: | Experimental |
| Drugbank_id: | EXPT00262 |
| Drug_category: | Estradiol 17 Beta-Dehydrogenase 1 inhibitor |
| Organisms_affected: | -1 |
| Found: 63 active | as graph: single | with analogs | [1] << Back 51 52 53 54 55 56 57 58 59 60 Next >> [63] |
| Species: | 4932 |
| Condition: | REF2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.5431±0.00700036 |
| Normalized OD Score: sc h | 1.2793±0.180162 |
| Z-Score: | 8.0053±5.10673 |
| p-Value: | 0.00000555712 |
| Z-Factor: | -1.32584 |
| Fitness Defect: | 12.1004 |
| Bioactivity Statement: | Outlier |
| ps |
| DBLink | Rows returned: 1448 | [1] << Back 21 22 23 24 25 26 27 28 29 30 Next >> [242] |
| 73751 | tridecan-3-one |
| 73832 | 1-cyclohexylbutan-1-one |
| 73918 | cyclodecanone |
| 74196 | octane-2,7-dione |
| 75034 | pentacosan-13-one |
| 75035 | heptatriacontan-19-one |
| internal high similarity DBLink | Rows returned: 17 | 1 2 3 Next >> |
| RJC 02257 | 0.9231 |
| RJC 02979 | 0.9231 |
| JFD 02406 | 0.9231 |
| BTBG 00073 | 0.9231 |
| BTB 14425 | 0.9231 |
| BTB 13696 | 0.9231 |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 |
| SPE00107113 | 0.353846153846154 |
| SPE01503675 | 0.34375 |
| SPE00100586 | 0.275862068965517 |
| SPE00310009 | 0 |
| LOPAC 00697 | 0 |
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