| Compound Information | SONAR Target prediction | | Name: | PRISTIMEROL | | Unique Identifier: | SPE01504207 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C30H42O4 | | Molecular Weight: | 424.319 g/mol | | X log p: | 4.738 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | COC(=O)C1(C)CCC2(C)CCC3(C)C4=CCc5c(C)c(O)c(O)cc5C4(C)CCC3(C)C2C1 | | Source: | derivative of pristimerin |
| Species: |
4932 |
| Condition: |
IDH2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5640±0.00565685 |
| Normalized OD Score: sc h |
0.9665±0.00568481 |
| Z-Score: |
-1.6843±0.325983 |
| p-Value: |
0.100754 |
| Z-Factor: |
-2.63035 |
| Fitness Defect: |
2.2951 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|G3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.80 Celcius | | Date: | 2007-10-19 YYYY-MM-DD | | Plate CH Control (+): | 0.040825±0.00058 | | Plate DMSO Control (-): | 0.5701±0.01995 | | Plate Z-Factor: | 0.8828 |
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ps
pdf |
| DBLink | Rows returned: 1 | |
| 6708798 |
methyl
(2R,4aR,6aS,6aR,14aS)-10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picen
e-2-carboxylate |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 3682 | Additional Members: 3 | Rows returned: 1 | |
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