| Compound Information | SONAR Target prediction | | Name: | Antimycin A | | Unique Identifier: | Prest922 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C28H40N2O9 | | Molecular Weight: | 509.316 g/mol | | X log p: | 6.022 (online calculus) | | Lipinksi Failures | 3 | | TPSA | 113.04 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 11 | | Rotatable Bond Count: | 14 | | Canonical Smiles: | CCCCCCC1C(OC(=O)CC(C)C)C(C)OC(=O)C(NC(=O)c2cccc(NC=O)c2O)C(C)OC1=O |
| Species: |
9606 |
| Condition: |
TMPPre001 |
| Replicates: |
2 |
| Raw OD Value: r im |
1773.0000±0 |
| Normalized OD Score: sc h |
0.8518±0 |
| Z-Score: |
-3.3407±0 |
| p-Value: |
0.000835576 |
| Z-Factor: |
-13.4093 |
| Fitness Defect: |
7.0874 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 3|G3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.60 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 1037.5±978.23463 | | Plate DMSO Control (-): | 2014±552.18250 | | Plate Z-Factor: | -4.9321 |
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ps
pdf |
| 2204 |
[3-[(3-formamido-2-hydroxy-benzoyl)amino]-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl]
3-methylbutanoate |
| 10652 |
[(6S,7S,8R)-8-butyl-3-[(3-formamido-2-hydroxy-benzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl]
3-methylbutanoate |
| 12550 |
[3-[(3-formamido-2-hydroxy-benzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl]
3-methylbutanoate |
| 14957 |
[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxy-benzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7
-yl] 3-methylbutanoate |
| 245869 |
[(2R,3S,6S,7R,8R)-8-butyl-3-[(3-formamido-2-hydroxy-benzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7
-yl] 3-methylbutanoate |
| 447434 |
[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxy-benzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7
-yl] 2-methylpropanoate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 5241 | Additional Members: 4 | Rows returned: 1 | |
|
