| Compound Information | SONAR Target prediction |
| Name: | DROPERIDOL |
| Unique Identifier: | SPE01501002 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 357.253 g/mol |
| X log p: | 18.41 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 40.62 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 5 |
| Rotatable Bond Count: | 6 |
| Canonical Smiles: | Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)N1C(=O)Nc2ccccc12 |
| Source: | synthetic |
| Therapeutics: | neuroleptic |
| Generic_name: | Droperidol |
| Chemical_iupac_name: | 1-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,6-dihydro-2H-pyridin-4-yl]-3H-benzoimidazol- 2-one |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449422 |
| Kegg_compound_id: | C06974 |
| Drugbank_id: | APRD00939 |
| Melting_point: | 145.75 oC |
| H2o_solubility: | 4.21 mg/L |
| Logp: | 2.791 |
| Isoelectric_point: | 7.46 |
| Cas_registry_number: | 548-73-2 |
| Drug_category: | Adjuvants, Anesthesia; Antiemetics; Antipsychotic Agents; Dopamine Antagonists; ATC:N01AX01; ATC:N05AD08 |
| Indication: | Used to produce tranquilization and to reduce the incidence of nausea and vomiting in surgical and diagnostic procedures. |
| Pharmacology: | Droperidol produces marked tranquilization and sedation. It allays apprehension and provides a state of mental detachment and indifference while maintaining a state of reflex alertness. Droperidol produces an antiemetic effect as evidenced by the antagonism of apomorphine in dogs. It lowers the incidence of nausea and vomiting during surgical procedures and provides antiemetic protection in the postoperative period. Droperidol potentiates other CNS depressants. It produces mild alpha-adrenergic blockade, peripheral vascular dilatation and reduction of the pressor effect of epinephrine. It can produce hypotension and decreased peripheral vascular resistance and may decrease pulmonary arterial pressure (particularly if it is abnormally high). It may reduce the incidence of epinephrine-induced arrhythmias, but it does not prevent other cardiac arrhythmias. |
| Mechanism_of_action: | The exact mechanism of action is unknown, however, droperidol causes a CNS depression at subcortical levels of the brain, midbrain, and brainstem reticular formation, may antagonize the actions of glutamic acid within the extrapyramidal system, may inhibit cathecolamine receptors and the reuptake of neurotransmiters, has strong central antidopaminergic action and weak central anticholinergic action, produces ganglionic blockade and reduces affective response. |
| Organisms_affected: | Humans and other mammals |
| Found: 205 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | AAT2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7263±0.000424264 |
| Normalized OD Score: sc h | 0.9788±0.0035493 |
| Z-Score: | -1.1293±0.21359 |
| p-Value: | 0.264174 |
| Z-Factor: | -2.67281 |
| Fitness Defect: | 1.3311 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 2 |
| 3168 | 1-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,6-dihydro-2H-pyridin-4-yl]-3H-benzoimidazol-2-one |
| 450931 | 1-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,6-dihydro-2H-pyridin-4-yl]-3H-benzoimidazol-2-one |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 5771 | Additional Members: 4 | Rows returned: 0 |
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