| Compound Information | SONAR Target prediction |
| Name: | S-(1,2-DICARBOXYETHYL)GLUTATHIONE |
| Unique Identifier: | SPE01502216 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C15H23N3O10S |
| Molecular Weight: | 414.241 g/mol |
| X log p: | (online calculus) |
| Lipinksi Failures | |
| TPSA | |
| Hydrogen Bond Donor Count: | |
| Hydrogen Bond Acceptors Count: | |
| Rotatable Bond Count: | |
| Canonical Smiles: | NC(CCC(=O)NC(CCSC(CC(O)=O)C(O)=O)C(=O)NCC(O)=O)C(O)=O |
| Source: | rat heart and liver |
| Reference: | Arzneimittel-Forsch 42:1482 (1992) |
| Therapeutics: | antiinflammatory, antiallergy, mast cell degranulation inhibitor |
| Found: 104 nonactive as graph: single | with analogs | [1] << Back 81 82 83 84 85 86 87 88 89 90 Next >> [104] |
| Species: | 4932 |
| Condition: | VPH1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.4413±0.0228395 |
| Normalized OD Score: sc h | 1.0667±0.0027348 |
| Z-Score: | 1.1992±0.125466 |
| p-Value: | 0.232268 |
| Z-Factor: | -1.17974 |
| Fitness Defect: | 1.4599 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 0 |
| internal high similarity DBLink | Rows returned: 0 |
| nonactive | Cluster 33 | Additional Members: 4 | Rows returned: 3 |
| LOPAC 00664 | 0.421052631578947 |
| SPE01502248 | 0.362068965517241 |
| LOPAC 01085 | 0 |
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