| Compound Information | SONAR Target prediction |
| Name: | Haloperidol |
| Unique Identifier: | Prest250 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C21ClFH23NO2 |
| Molecular Weight: | 352.681 g/mol |
| X log p: | 16.232 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 20.31 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 6 |
| Canonical Smiles: | OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |
| Generic_name: | Haloperidol |
| Chemical_iupac_name: | 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449841 |
| Kegg_compound_id: | C01814 |
| Drugbank_id: | APRD00538 |
| Melting_point: | 151.5 oC |
| H2o_solubility: | 14 mg/L |
| Logp: | 4.362 |
| Isoelectric_point: | 8.66 |
| Cas_registry_number: | 52-86-8 |
| Drug_category: | Antidyskinetics; Antipsychotics; Antiemetics; Butyrophenones; Dopamine Antagonists; ATC:N05AD01 |
| Indication: | For the treatment of schizophrenic patients who require prolonged parenteral antipsychotic therapy also used in Tourette-s syndrome and Severe hyperactivity. |
| Pharmacology: | Haloperidol is a psychotropic agent indicated for the treatment of schizophrenia. It also exerts sedative and antiemetic activity. Haloperidol has actions at all levels of the central nervous system-primarily at subcortical levels-as well as on multiple organ systems. Haloperidol has strong antiadrenergic and weaker peripheral anticholinergic activity; ganglionic blocking action is relatively slight. It also possesses slight antihistaminic and antiserotonin activity. |
| Mechanism_of_action: | The precise mechanism whereby the therapeutic effects of haloperidol are produced is not known. Its effect on the central nervous system is thought to be associated with the competitive blockade of postsynaptic dopamine D2 receptors in the mesolimbic dopaminergic system and an increased turnover rate of brain dopamine. |
| Organisms_affected: | Humans and other mammals |
| Found: 3 nonactive as graph: single | with analogs | 1 2 3 Next >> |
| Species: | 9606 |
| Condition: | TMPPre001 |
| Replicates: | 2 |
| Raw OD Value: r im | 1909.0000±0 |
| Normalized OD Score: sc h | 0.9558±0 |
| Z-Score: | -0.9962±0 |
| p-Value: | 0.319174 |
| Z-Factor: | -15.6879 |
| Fitness Defect: | 1.142 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 3 |
| 3559 | 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)butan-1-one |
| 450206 | 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)butan-1-one |
| 6956324 | 4-[4-(4-chlorophenyl)-4-hydroxy-2,3,5,6-tetrahydropyridin-1-yl]-1-(4-fluorophenyl)butan-1-one |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 16161 | Additional Members: 10 | Rows returned: 5 |
| SPE01505691 | 0.512820512820513 |
| SPE02300241 | 0.493506493506494 |
| LOPAC 00317 | 0.279411764705882 |
| LOPAC 00287 | 0 |
| SPE01500325 | 0 |
Service provided by the
Mike Tyers Laboratory