| 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: |
POP2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5844±0.011243 |
| Normalized OD Score: sc h |
0.8799±0.00762516 |
| Z-Score: |
-5.6171±0.102014 |
| p-Value: |
0.00000002108 |
| Z-Factor: |
-34.7195 |
| Fitness Defect: |
17.6749 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 22|H7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 28.80 Celcius | | Date: | 2007-10-24 YYYY-MM-DD | | Plate CH Control (+): | 0.04125±0.00211 | | Plate DMSO Control (-): | 0.650325±0.18972 | | Plate Z-Factor: | -0.0656 |
|  png
ps
pdf |
| 28068 |
3-cyclooctylpropan-1-ol |
| 29746 |
(4S,4aS,8aR)-4,8a-dimethyldecalin-4a-ol |
| 29775 |
5-ethylheptan-2-ol |
| 32045 |
undecan-6-ol |
| 32801 |
(8R,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phen
anthrene-3,17-diol |
| 32898 |
8-methylnonan-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 | |
|
