| 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 |
| Species: |
4932 |
| Condition: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7045±0.00912168 |
| Normalized OD Score: sc h |
1.0249±0.00974566 |
| Z-Score: |
1.3539±0.549857 |
| p-Value: |
0.207928 |
| Z-Factor: |
-6.38789 |
| Fitness Defect: |
1.5706 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 22|H7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.70 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.04225±0.00040 | | Plate DMSO Control (-): | 0.67065±0.19760 | | Plate Z-Factor: | -0.0494 |
|  png
ps
pdf |
| 7037527 |
(2S,6R)-4-methyl-2,6-ditert-butyl-cyclohexan-1-ol |
| 7040667 |
n/a |
| 7052388 |
(4S)-4-[(5R,8S,9R,10S,13R,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cy
clopenta[a]phenanthren-17-yl]pentan-1-ol |
| 7052389 |
(4R)-4-[(5R,8S,9R,10S,13R,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cy
clopenta[a]phenanthren-17-yl]pentan-1-ol |
| 7052390 |
(4S)-4-[(5R,8S,9R,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cy
clopenta[a]phenanthren-17-yl]pentan-1-ol |
| 7052391 |
(4R)-4-[(5R,8S,9R,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cy
clopenta[a]phenanthren-17-yl]pentan-1-ol |
| internal high similarity DBLink | Rows returned: 38 | 1 2 3 4 5 6 7 Next >> |
| active | Cluster 12674 | Additional Members: 6 | Rows returned: 4 | |
|
