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Compound InformationSONAR 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 Failures1
TPSA28.54
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: 156 active | as graph: single | with analogs [1] << Back 141 142 143 144 145 146 147 148 149 150  Next >> [156]
Species: 4932
Condition: SLT2
Replicates: 2
Raw OD Value: r im 0.6776±0.0216375
Normalized OD Score: sc h 0.8818±0.0303985
Z-Score: -5.8321±1.51048
p-Value: 0.000000949022
Z-Factor: -0.0695722
Fitness Defect: 13.8678
Bioactivity Statement: Outlier
Experimental Conditions
Library:Spectrum
Plate Number and Position:14|C6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2006-03-21 YYYY-MM-DD
Plate CH Control (+):0.038325±0.00105
Plate DMSO Control (-):0.7570749999999999±0.00857
Plate Z-Factor:0.9635
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DBLink | Rows returned: 14<< Back 1 2 3
5702223 (3E)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine hydrochloride
6918947 3-(2-chlorothioxanthen-9-ylidene)propyl-dimethyl-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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