| Compound Information | SONAR Target prediction |
| Name: | 5alpha-ANDROSTAN-3beta,17beta-DIOL |
| Unique Identifier: | SPE00107100 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C19H32O2 |
| Molecular Weight: | 261.21 g/mol |
| X log p: | -0.0960000000000001 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 0 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 2 |
| Rotatable Bond Count: | 0 |
| Canonical Smiles: | CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2O |
| Source: | testosterone metabolite |
| Reference: | J Org Chem 26: 2043 (1961); J Med Chem 9: 924 (1966) |
| Generic_name: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL |
| Chemical_iupac_name: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL |
| Drug_type: | Experimental |
| Drugbank_id: | EXPT00530 |
| Logp: | 3.73 |
| Drug_category: | Sex Hormone-Binding Globulin inhibitor |
| Organisms_affected: | -1 |
| Found: 8 active | as graph: single | with analogs | 1 2 3 4 5 6 7 8 Next >> |
| Species: | 4932 |
| Condition: | CLA4 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.5995±0.0216375 |
| Normalized OD Score: sc h | 0.8950±0.0183461 |
| Z-Score: | -4.6130±0.628742 |
| p-Value: | 0.0000155509 |
| Z-Factor: | -191.394 |
| Fitness Defect: | 11.0714 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 2037 | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [340] |
| 15166 | cyclodecanol |
| 15406 | 1,3,3-trimethylnorbornan-2-ol |
| 15448 | undecan-2-ol |
| 15449 | tridecan-2-ol |
| 15450 | 6-methylheptan-1-ol |
| 15595 | cyclododecanol |
| internal high similarity DBLink | Rows returned: 38 | 1 2 3 4 5 6 7 Next >> |
| BTB 12413 | 0.9231 |
| RJC 00940 | 0.9231 |
| JFD 01247 | 0.9231 |
| NRB 02212 | 0.9231 |
| BTB 14986 | 0.9231 |
| BTB 14459 | 0.9231 |
| active | Cluster 12674 | Additional Members: 6 | Rows returned: 4 |
| NRB 03720 | 0.416666666666667 |
| Prest1215 | 0.413793103448276 |
| SPE00107093 | 0 |
| LOPAC 00683 | 0 |
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