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: |
VPS1 |
Replicates: |
2 |
Raw OD Value: r im |
0.5562±0.0243245 |
Normalized OD Score: sc h |
0.8671±0.0169605 |
Z-Score: |
-5.2754±0.842845 |
p-Value: |
0.00000144068 |
Z-Factor: |
-0.944949 |
Fitness Defect: |
13.4504 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 23|G10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 27.20 Celcius | Date: | 2007-10-03 YYYY-MM-DD | Plate CH Control (+): | 0.040725±0.00056 | Plate DMSO Control (-): | 0.631625±0.04383 | Plate Z-Factor: | 0.6704 |
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2158 |
1-[4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-diol |
43261 |
1-[(1R,3R,4S,5R)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-d iol hydrochloride |
43262 |
1-[(1R,3R,4S,5R)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-d iol |
121928 |
(1R)-1-[(1R,3R,4S,5R)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane- 1,2-diol |
124163 |
3-[[(1R,3R,4S,5R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-4-y l]oxy]-N,N-dimethyl-propan-1-amine |
5702212 |
1-[(3R,4S,5R)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-diol hydrochloride |
internal high similarity DBLink | Rows returned: 1 | |
nonactive | Cluster 11451 | Additional Members: 4 | Rows returned: 2 | |
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