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Compound InformationSONAR Target prediction
Name:

TRIFLUOPERAZINE HYDROCHLORIDE

Unique Identifier:SPE01500591
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:454.212 g/mol
X log p:17.027  (online calculus)
Lipinksi Failures1
TPSA35.02
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:5
Canonical Smiles:Cl.Cl.CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Source:synthetic
Therapeutics:antipsychotic
Generic_name:Trifluoperazine
Chemical_iupac_name:10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine
Drug_type:Approved Drug
Pharmgkb_id:PA451771
Kegg_compound_id:C07168
Drugbank_id:APRD00173
Logp:5.366
Cas_registry_number:117-89-5
Mass_spectrum:http://webbook.nist.gov/cgi/cbook.cgi?Spec=C117895&Index=0&Type=Mass&Large=on
Drug_category:Antipsychotics; Antiemetics; Phenothiazines; ATC:N05AB06
Indication:For the treatment of anxiety disorders, depressive symptoms secondary to anxiety and
agitation.
Pharmacology:Trifluoperazine is a trifluoro-methyl phenothiazine derivative intended for the
management of schizophrenia and other psychotic disorders. Trifluoperazine has not
been shown effective in the management of behaviorial complications in patients with
mental retardation.
Mechanism_of_action:Trifluoperazine 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: 187 active | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [187]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.8635±0.0019799
Normalized OD Score: sc h 0.0615±0.00113
Z-Score: -18.2826±0.301224
p-Value: 0
Z-Factor: 0.860585
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:5|D6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09975±0.00486
Plate DMSO Control (-):0.97275±0.03235
Plate Z-Factor:0.8501
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DBLink | Rows returned: 142 3 Next >> 
5566 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
28690 10-[3-(4-cyclopropylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
66064 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine dihydrochloride
168895 10-[3-(4-cyclopropylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine dihydrochloride
213344 10-[3-(4,4-dimethyl-2,3,5,6-tetrahydropyrazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine iodide
213345 10-[3-(4,4-dimethyl-2,3,5,6-tetrahydropyrazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine

internal high similarity DBLink | Rows returned: 5
LOPAC 01241 0.9194
SPE01503118 0.9194
LOPAC 00285 0.9688
SPE01500994 0.9688
LOPAC 00319 1.0000

active | Cluster 6041 | Additional Members: 22 | Rows returned: 15<< Back 1 2 3
SPE01500994 0.19672131147541
LAT004D07 0
LOPAC 00319 0

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