| Compound Information | SONAR Target prediction |
| Name: | CANTHARIDIN |
| Unique Identifier: | SPE01500814 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C10H12O4 |
| Molecular Weight: | 184.105 g/mol |
| X log p: | -1.539 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 52.6 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 0 |
| Canonical Smiles: | CC12C3CCC(O3)C1(C)C(=O)OC2=O |
| Source: | active principle of cantharides and other insects |
| Reference: | J Am Chem Soc 63: 3167 (1941) |
| Therapeutics: | irritant |
| Found: 42 nonactive | as graph: single | with analogs | [1] << Back 21 22 23 24 25 26 27 28 29 30 Next >> [42] |
| Species: | 4932 |
| Condition: | PDE1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7493±0.0132229 |
| Normalized OD Score: sc h | 0.9324±0.00873807 |
| Z-Score: | -2.4437±0.403845 |
| p-Value: | 0.0186308 |
| Z-Factor: | -0.110902 |
| Fitness Defect: | 3.9829 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 23 | 1 2 3 4 Next >> |
| 2545 |
| 5944 |
| 93004 |
| 198705 |
| 198727 |
| 238942 |
| internal high similarity DBLink | Rows returned: 3 |
| LOPAC 00793 | 1.0000 |
| LOPAC 01099 | 1.0000 |
| SPE01504153 | 1.0000 |
| active | Cluster 4981 | Additional Members: 6 | Rows returned: 1 |
| LOPAC 00793 | 0 |
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