| 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: |
VAM3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4548±0.0281428 |
| Normalized OD Score: sc h |
0.7132±0.0292421 |
| Z-Score: |
-8.7029±0.485746 |
| p-Value: |
3.15834e-17 |
| Z-Factor: |
0.45294 |
| Fitness Defect: |
37.9939 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|C4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.20 Celcius | | Date: | 2008-04-09 YYYY-MM-DD | | Plate CH Control (+): | 0.03975±0.00124 | | Plate DMSO Control (-): | 0.6302749999999999±0.01488 | | Plate Z-Factor: | 0.8967 |
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ps
pdf |
| 127356 |
(3R,7R,11S,15S,18S,22S,26R,30R)-3,7,11,15,18,22,26,30-octamethyldotriacontane-1,32-diol |
| 130876 |
(3S,5S,8R,9S,10S,13R,14S,15S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11
,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol |
| 131039 |
n/a |
| 132021 |
(8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-hydroxy-5,6-dimethyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,1
1,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 133309 |
(3S,4S,5S,8S,9S,10S,13R,14S,17R)-4,10,13-trimethyl-17-[(2R)-4,5,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,
11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 133454 |
n/a |
| 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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