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Compound InformationSONAR Target prediction
Name:

Chlorprothixene hydrochloride

Unique Identifier:Prest754
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18Cl2H19NS
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
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: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 17539.0000±0
Normalized OD Score: sc h 0.9711±0
Z-Score: -0.8030±0
p-Value: 0.421996
Z-Factor: -5.6696
Fitness Defect: 0.8628
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:5|C9
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.80 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):18290±2002.70234
Plate DMSO Control (-):18264.5±1013.26960
Plate Z-Factor:-63.2184
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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: 2
LOPAC 00755 0.290909090909091
SPE01503203 0

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