| Compound Information | SONAR Target prediction |
| Name: | LEUCINE ENKEPHALIN |
| Unique Identifier: | SPE01502178 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C28H37N5O7 |
| Molecular Weight: | 518.329 g/mol |
| X log p: | 15.983 (online calculus) |
| Lipinksi Failures | 3 |
| TPSA | 85.35 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 12 |
| Rotatable Bond Count: | 19 |
| Canonical Smiles: | CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(O)=O |
| Therapeutics: | opioid neuromodulator |
| Found: 2 active | as graph: single | with analogs | 1 2 Next >> |
| Species: | 4932 |
| Condition: | RIC1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.5983±0.0181019 |
| Normalized OD Score: sc h | 1.3782±0.00578733 |
| Z-Score: | 4.6470±0.761322 |
| p-Value: | 0.0000200032 |
| Z-Factor: | 0.70426 |
| Fitness Defect: | 10.8196 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 5 |
| 3903 | 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl ]amino]-4-methyl-pentanoic acid |
| 44568 | 2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenyl-propanoy l]amino]-4-methyl-pentanoic acid |
| 461776 | (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-p henyl-propanoyl]amino]-4-methyl-pentanoic acid |
| 6426648 | (2S,3S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]- 3-phenyl-propanoyl]amino]-3-methyl-pentanoic acid |
| 6917707 | (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]am ino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid |
| internal high similarity DBLink | Rows returned: 1 |
| SPE01502186 | 0.9250 |
| active | Cluster 6103 | Additional Members: 3 | Rows returned: 0 |
Service provided by the
Mike Tyers Laboratory