| Compound Information | SONAR Target prediction | | Name: | Dehydrocholic acid | | Unique Identifier: | Prest498 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C24H34O5 | | Molecular Weight: | 372.286 g/mol | | X log p: | -1.791 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 68.28 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(CCC(O)=O)C1CCC2C3C(CC(=O)C12C)C1(C)CCC(=O)CC1CC3=O |
| Species: |
9606 |
| Condition: |
TMPPre002 |
| Replicates: |
2 |
| Raw OD Value: r im |
10265.0000±0 |
| Normalized OD Score: sc h |
1.0144±0 |
| Z-Score: |
0.3255±0 |
| p-Value: |
0.744784 |
| Z-Factor: |
-6.56201 |
| Fitness Defect: |
0.2947 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 2|E4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.40 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 979±955.64442 | | Plate DMSO Control (-): | 1983.5±536.09994 | | Plate Z-Factor: | -4.7841 |
|  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: 0 | |
| active | Cluster 7145 | Additional Members: 4 | Rows returned: 1 | |
|
