| Compound Information | SONAR Target prediction | | Name: | 5alpha-Androstane-3alpha,17beta-diol | | Unique Identifier: | LOPAC 00683 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C19H32O2 | | Molecular Weight: | 263.226 g/mol | | X log p: | 0.0579999999999999 (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 | | Class: | Hormone | | Action: | Metabolite | | Selectivity: | Androgen | | 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 |
| Species: |
4932 |
| Condition: |
SMI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4372±0.025668 |
| Normalized OD Score: sc h |
0.6575±0.050655 |
| Z-Score: |
-9.4377±2.13395 |
| p-Value: |
0.00000000000000110634 |
| Z-Factor: |
-0.06882 |
| Fitness Defect: |
34.4377 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 2|F2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.10 Celcius | | Date: | 2005-11-15 YYYY-MM-DD | | Plate CH Control (+): | 0.038875±0.00156 | | Plate DMSO Control (-): | 0.665675±0.04194 | | Plate Z-Factor: | 0.8595 |
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ps
pdf |
| 4901 |
17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phen
anthren-3-ol |
| 6548 |
3,7-dimethyloctan-3-ol |
| 6665 |
(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,1
6,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 6743 |
17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyc
lopenta[a]phenanthren-3-ol |
| 7391 |
4-tert-butylcyclohexan-1-ol |
| 7507 |
cyclohexylmethanol |
| active | Cluster 12674 | Additional Members: 6 | Rows returned: 4 | |
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