Compound Information | SONAR Target prediction | Name: | SODIUM DEHYDROCHOLATE | Unique Identifier: | SPE01500225 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 392.251 g/mol | X log p: | -1.652 (online calculus) | Lipinksi Failures | 0 | TPSA | 91.34 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 5 | Rotatable Bond Count: | 4 | Canonical Smiles: | [Na+].[O-]C(=O)CCC(C)C1CCC2C3C(CC(=O)C12C)C1(C)CCC(=O)CC1CC3=O | Source: | semisynthetic | Therapeutics: | choleretic |
Species: |
4932 |
Condition: |
ABP1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6768±0.00919239 |
Normalized OD Score: sc h |
0.9867±0.0115197 |
Z-Score: |
-0.6717±0.560986 |
p-Value: |
0.534324 |
Z-Factor: |
-4.33174 |
Fitness Defect: |
0.6268 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 3|H2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 22.00 Celcius | Date: | 2007-12-20 YYYY-MM-DD | Plate CH Control (+): | 0.0417±0.00053 | Plate DMSO Control (-): | 0.67005±0.01623 | Plate Z-Factor: | 0.9262 |
| png ps pdf |
2974 |
4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)p entanoate |
2975 |
4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)p entanoic acid |
6674 |
(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydro cyclopenta[a]phenanthren-17-yl]pentanoic acid |
8957 |
sodium 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)p entanoate |
94192 |
(4R)-4-[(5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H -cyclopenta[a]phenanthren-17-yl]pentanoic acid |
111335 |
(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydro cyclopenta[a]phenanthren-17-yl]pentanoate; magnesium(+2) cation |
internal high similarity DBLink | Rows returned: 35 | 1 2 3 4 5 6 Next >> |
active | Cluster 7145 | Additional Members: 4 | Rows returned: 0 | |
|