Compound Information | SONAR Target prediction | Name: | AMIPRILOSE | Unique Identifier: | SPE01503083 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 313.606 g/mol | X log p: | -0.87 (online calculus) | Lipinksi Failures | 0 | TPSA | 40.16 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 7 | Rotatable Bond Count: | 7 | Canonical Smiles: | Cl.CN(C)CCCOC1C(OC2OC(C)(C)OC21)C(O)CO | Source: | semisynthetic | Therapeutics: | immunomodulator, antiinflammatory |
Species: |
4932 |
Condition: |
SER1 |
Replicates: |
2 |
Raw OD Value: r im |
0.4765±0.0324562 |
Normalized OD Score: sc h |
0.8721±0.035761 |
Z-Score: |
-4.0157±1.01625 |
p-Value: |
0.000489504 |
Z-Factor: |
-1.51734 |
Fitness Defect: |
7.6221 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 23|G10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 28.00 Celcius | Date: | 2007-09-17 YYYY-MM-DD | Plate CH Control (+): | 0.03985±0.00038 | Plate DMSO Control (-): | 0.558925±0.03548 | Plate Z-Factor: | 0.7746 |
| png ps pdf |
5702213 |
1-[(3R,4S,5R)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-diol |
6420050 |
1-[(3R,4S,5S)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-diol hydrochloride |
6602490 |
(1S)-1-[(4S,5S)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-di ol |
6603708 |
(1R)-1-[(1S,3S,4S,5R)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane- 1,2-diol |
6604419 |
(1R)-1-[(1S,3R,4R,5S)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane- 1,2-diol |
6713980 |
1-[(3R,4S,5S)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-diol |
internal high similarity DBLink | Rows returned: 1 | |
active | Cluster 11451 | Additional Members: 4 | Rows returned: 0 | |
|