| Compound Information | SONAR Target prediction | | Name: | CEDROL | | Unique Identifier: | SPE00307059 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 197.168 g/mol | | X log p: | 0.0649999999999999 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC1CCC2C(C)(C)C3CC12CCC3(C)O | | Class: | sesquiterpene | | Source: | Common constitutent in the Family Cupressaceae | | Reference: | J Org Chem 43: 1964 (1978) | | Therapeutics: | acaricide | | 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: |
ATP4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5346±0.0518309 |
| Normalized OD Score: sc h |
0.8371±0.0716459 |
| Z-Score: |
-5.9908±2.27074 |
| p-Value: |
0.00000579584 |
| Z-Factor: |
-0.886447 |
| Fitness Defect: |
12.0584 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|C4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.70 Celcius | | Date: | 2008-03-06 YYYY-MM-DD | | Plate CH Control (+): | 0.039775±0.00060 | | Plate DMSO Control (-): | 0.62965±0.01822 | | Plate Z-Factor: | 0.9073 |
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| 244326 |
3-methylundecan-3-ol |
| 244327 |
3-methyltridecan-3-ol |
| 244676 |
2,2,6,6-tetramethylcyclohexan-1-ol |
| 244766 |
1-methyl-4-tert-butyl-cyclohexan-1-ol |
| 245470 |
(3S,5R,6R,8R,9S,10S,13S,14S,17S)-6,10,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydroc
yclopenta[a]phenanthrene-3,17-diol |
| 246162 |
(3S,5S,8R,9S,10S,13S,14S,17S)-3-cyclopentyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahy
dro-1H-cyclopenta[a]phenanthren-17-ol |
| internal high similarity DBLink | Rows returned: 38 | 1 2 3 4 5 6 7 Next >> |
| active | Cluster 4444 | Additional Members: 3 | Rows returned: 1 | |
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