| Compound Information | SONAR Target prediction |
| Name: | CHLORPROTHIXENE HYDROCHLORIDE |
| Unique Identifier: | SPE01503203 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 333.171 g/mol |
| X log p: | 17.85 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 28.54 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 1 |
| Rotatable Bond Count: | 3 |
| Canonical Smiles: | Cl.CN(C)CCC=C1c2ccccc2Sc2ccc(Cl)cc21 |
| Source: | synthetic |
| Reference: | J Med Chem 36: 2219 (1993) |
| Therapeutics: | antipsychotic |
| Generic_name: | Chlorprothixene |
| Chemical_iupac_name: | 3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA448967 |
| Kegg_compound_id: | C07953 |
| Drugbank_id: | APRD00718 |
| Melting_point: | 97.5 oC |
| H2o_solubility: | 0.295 mg/L |
| Logp: | 5.654 |
| Cas_registry_number: | 113-59-7 |
| Mass_spectrum: | http://webbook.nist.gov/cgi/cbook.cgi?Spec=C113597&Index=0&Type=Mass&Large=on |
| Drug_category: | Antipsychotics; Dopamine Antagonists; ATC:N05AF03 |
| Indication: | For treatment of psychotic disorders (e.g. schizophrenia) and of acute mania occuring as part of bipolar disorders. |
| Pharmacology: | Chlorprothixene is a typical antipsychotic drug of the thioxanthine class. It has a low antipsychotic potency (half to 2/3 of chlorpromazine). An intrinsic antidepressant effect of chlorprothixene has been discussed, but not proven yet. Likewise, it is unclear, if chlorprothixene has genuine analgesic effects. An antiemetic effect, as with most antipsychotics, exists. It is used in the treatment of nervous, mental, and emotional conditions. Improvement in such conditions is thought to result from the effect of the medicine on nerve pathways in specific areas of the brain. Chlorprothixene has a strong sedative activity with a high incidence of anticholinergic side-effects. Chlorprothixene is structurally related to chlorpromazine, with which it shares in principal all side effects. Allergic side-effects and liver damage seem to appear with an appreciable lower frequency. |
| Mechanism_of_action: | Chlorprothixene blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors in the brain; depresses the release of hypothalamic and hypophyseal hormones and is believed to depress the reticular activating system thus affecting basal metabolism, body temperature, wakefulness, vasomotor tone, and emesis. |
| Organisms_affected: | Humans and other mammals |
| Found: 469 nonactive | as graph: single | with analogs | [1] << Back 461 462 463 464 465 466 467 468 469 |
| Species: | 4932 |
| Condition: | YPT6 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7232±0.000494975 |
| Normalized OD Score: sc h | 1.0206±0.00445938 |
| Z-Score: | 0.6874±0.115868 |
| p-Value: | 0.493298 |
| Z-Factor: | -8.64732 |
| Fitness Defect: | 0.7066 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 14 | 1 2 3 Next >> |
| 2729 | 3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine |
| 102265 | 3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine hydrochloride |
| 667466 | (3E)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine |
| 667467 | (3E)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine |
| 929643 | [(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]-trimethyl-azanium |
| 929644 | [(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]-trimethyl-azanium |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 11809 | Additional Members: 3 | Rows returned: 1 |
| LOPAC 00755 | 0.290909090909091 |
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