| Compound Information | SONAR Target prediction | | Name: | FUCOSTANOL | | Unique Identifier: | SPE01504053 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 364.31 g/mol | | X log p: | 1.79 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 6 | | Canonical Smiles: | CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C | | Class: | sterol | | Source: | Calendula officinalis | | Reference: | J Am Chem Soc 60: 2431 (1938) | | 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: |
ARX1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6467±0.00212132 |
| Normalized OD Score: sc h |
1.0065±0.00631374 |
| Z-Score: |
0.3059±0.28436 |
| p-Value: |
0.76437 |
| Z-Factor: |
-7.08127 |
| Fitness Defect: |
0.2687 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|C2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.30 Celcius | | Date: | 2007-10-11 YYYY-MM-DD | | Plate CH Control (+): | 0.03945±0.00057 | | Plate DMSO Control (-): | 0.637375±0.04529 | | Plate Z-Factor: | 0.7581 |
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| 7099925 |
(3S,4aR,6aR,6aR,6bS,8aR,12aR,14aR,14bS)-8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,
6b,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol |
| 7099926 |
(3S,4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,
6b,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol |
| 7099927 |
(3S,4aS,6aR,6aR,6bS,8aR,12aR,14aR,14bS)-8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,
6b,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol |
| 7100010 |
(3S,5R,8S,9R,10S,13S,14R,17S)-17-(2-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetra
decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 7121444 |
(3S,5S,8R,9R,10S,13R,14S,17S)-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 |
| 7121445 |
(3S,5S,8R,9R,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-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 |
| internal high similarity DBLink | Rows returned: 38 | 1 2 3 4 5 6 7 Next >> |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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