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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: 469 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [469]
Species: 4932
Condition: SPE01500767
Replicates: 2
Raw OD Value: r im 0.6685±0.0335169
Normalized OD Score: sc h 0.9991±0.00908638
Z-Score: -0.0136±0.354508
p-Value: 0.802084
Z-Factor: -19.5873
Fitness Defect: 0.2205
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|E10
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:22.60 Celcius
Date:2006-11-29 YYYY-MM-DD
Plate CH Control (+):0.039650000000000005±0.00248
Plate DMSO Control (-):0.672825±0.01651
Plate Z-Factor:0.8913
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DBLink | Rows returned: 142 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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