| Compound Information | SONAR Target prediction |
| Name: | Pentamidine isethionate |
| Unique Identifier: | LOPAC 00389 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C23H34N4O10S2 |
| Molecular Weight: | 556.399 g/mol |
| X log p: | 15.108 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 18.46 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 6 |
| Rotatable Bond Count: | 10 |
| Canonical Smiles: | NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1.OCCOS(=O)=O.OCCOS(=O)=O |
| Class: | Glutamate |
| Action: | Antagonist |
| Selectivity: | NMDA |
| Found: 24 nonactive as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [24] |
| Species: | 4932 |
| Condition: | GIM3 |
| Replicates: | 4 |
| Raw OD Value: r im | 0.4761±0.148663 |
| Normalized OD Score: sc h | 0.9506±0.0277432 |
| Z-Score: | -0.9745±0.254869 |
| p-Value: | 0.33098 |
| Z-Factor: | -7.03312 |
| Fitness Defect: | 1.1057 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 1 |
| 6604151 | 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-sulfinatooxyethanol |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 86 | Additional Members: 5 | Rows returned: 1 |
| SPE01500641 | 0 |
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