| Compound Information | SONAR Target prediction | | Name: | Pentamidine isethionate | | Unique Identifier: | Prest857 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C23H36N4O10S2 | | 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.OCCS(O)(=O)=O.OCCS(O)(=O)=O |
| Species: |
9606 |
| Condition: |
TMPPre001 |
| Replicates: |
2 |
| Raw OD Value: r im |
2080.0000±0 |
| Normalized OD Score: sc h |
1.0016±0 |
| Z-Score: |
0.0356±0 |
| p-Value: |
0.971602 |
| Z-Factor: |
-6.43054 |
| Fitness Defect: |
0.0288 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 7|H4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 24.10 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 951.5±923.27222 | | Plate DMSO Control (-): | 2006±543.99595 | | Plate Z-Factor: | -4.4324 |
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| DBLink | Rows returned: 2 | |
| 8813 |
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid |
| 359323 |
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 86 | Additional Members: 5 | Rows returned: 1 | |
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