| Compound Information | SONAR Target prediction |
| Name: | EPICOPROSTEROL |
| Unique Identifier: | SPE01504056 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C27H48O |
| Molecular Weight: | 341.296 g/mol |
| X log p: | 1.606 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 0 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 1 |
| Rotatable Bond Count: | 5 |
| Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C |
| Source: | ex mammalian excretions |
| 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: 101 nonactive as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [101] |
| Species: | 4932 |
| Condition: | BNI4 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7135±0.00226274 |
| Normalized OD Score: sc h | 1.0119±0.00660226 |
| Z-Score: | 0.3602±0.175722 |
| p-Value: | 0.720796 |
| Z-Factor: | -10.1657 |
| Fitness Defect: | 0.3274 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 2037 | [1] << Back 331 332 333 334 335 336 337 338 339 340 |
| 16062008 | cyclopentane; iron(+2) cation; (2-methylcyclopentyl)methanol |
| 16062009 | (2-methylcyclopentyl)methanol |
| 16070753 | 1-(1,7,7-trimethyl-6-bicyclo[2.2.1]heptyl)cyclohexan-1-ol |
| 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 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
| SPE00270051 | 0.451219512195122 |
| SPE01500835 | 0.309859154929578 |
| SPE01500605 | 0.3 |
| SPE01500837 | 0.3 |
| Prest256 | 0.3 |
| SPE01500906 | 0 |
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