| Compound Information | SONAR Target prediction |
| Name: | ACETYLCHOLINE |
| Unique Identifier: | SPE01500104 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 165.533 g/mol |
| X log p: | 0.00600000000000001 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 26.3 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 2 |
| Rotatable Bond Count: | 4 |
| Canonical Smiles: | [ClH-].CC(=O)OCC[N+](C)(C)C |
| Source: | synthetic |
| Therapeutics: | antiarrhythmic, miotic, vasodilator (peripheral) |
| Generic_name: | ACETYLCHOLINE |
| Chemical_iupac_name: | ACETYLCHOLINE |
| Drug_type: | Experimental |
| Kegg_compound_id: | C01996 |
| Drugbank_id: | EXPT00412 |
| Logp: | -3.9 +/- 0.36 |
| Cas_registry_number: | 51-84-3 |
| Drug_category: | Acetylcholinesterase inhibitor |
| Organisms_affected: | -1 |
| Found: 25 active | as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [25] |
| Species: | 4932 |
| Condition: | SPE00100009 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.3925±0.0196576 |
| Normalized OD Score: sc h | 1.3192±0.0302478 |
| Z-Score: | 4.0163±0.565923 |
| p-Value: | 0.000154509 |
| Z-Factor: | -44.6944 |
| Fitness Defect: | 8.7753 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 8 | 1 2 Next >> |
| 187 | 2-acetyloxyethyl-trimethyl-azanium |
| 6060 | 2-acetyloxyethyl-trimethyl-azanium chloride |
| 15013 | 2-dimethylaminoethyl acetate |
| 65551 | 2-acetyloxyethyl-trimethyl-azanium bromide |
| 75271 | 2-acetyloxyethyl-trimethyl-azanium iodide |
| 547020 | 2-acetyloxyethyl-trimethyl-azanium bromide |
| internal high similarity DBLink | Rows returned: 0 |
| nonactive | Cluster 239 | Additional Members: 7 | Rows returned: 6 |
| LOPAC 00209 | 0.5 |
| LOPAC 00233 | 0.466666666666667 |
| LOPAC 00736 | 0.451612903225806 |
| SPE01500158 | 0 |
| Prest1036 | 0 |
| LOPAC 00183 | 0 |
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