| 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: |
PEP5 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6241±0.0106773 |
| Normalized OD Score: sc h |
0.9059±0.0159598 |
| Z-Score: |
-5.2108±0.985171 |
| p-Value: |
0.00000318014 |
| Z-Factor: |
-0.379783 |
| Fitness Defect: |
12.6586 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 3|H2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.00 Celcius | | Date: | 2008-08-14 YYYY-MM-DD | | Plate CH Control (+): | 0.047125±0.00070 | | Plate DMSO Control (-): | 0.681575±0.01784 | | Plate Z-Factor: | 0.9118 |
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ps
pdf |
| 619074 |
4-(10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
pentanoic acid |
| 625588 |
4-(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 |
| 2754288 |
(4S)-4-[(5S,10S,13R,17R)-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopent
a[a]phenanthren-17-yl]pentanoic acid |
| 2817556 |
(4R)-4-[(9S,14S)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phena
nthren-17-yl]pentanoic acid |
| 3082288 |
(4R)-4-[(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-cy
clopenta[a]phenanthren-17-yl]pentanoic acid |
| 3083837 |
4-[(9S,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenan
thren-17-yl]pentanoic acid |
| internal high similarity DBLink | Rows returned: 35 | 1 2 3 4 5 6 Next >> |
| active | Cluster 7145 | Additional Members: 4 | Rows returned: 0 | |
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