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Compound InformationSONAR Target prediction
Name:

Trifluoperazine dihydrochloride

Unique Identifier:LOPAC 00319
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21Cl2F3H26N3S
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
Class:Dopamine
Action:Antagonist
Selectivity:D1/D2
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: 12 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: GIM3
Replicates: 4
Raw OD Value: r im 0.3173±0.0459842
Normalized OD Score: sc h 0.5831±0.0644597
Z-Score: -8.9415±4.01808
p-Value: 0.000000000505914
Z-Factor: -1.92406
Fitness Defect: 21.4047
Bioactivity Statement: Active
Experimental Conditions
Library:Lopac
Plate Number and Position:16|D3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.0463±0.00190
Plate DMSO Control (-):0.6698625000000001±0.13841
Plate Z-Factor:0.0496
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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
SPE01503118 0.9194
LOPAC 01241 0.9256
LOPAC 00285 0.9528
SPE01500994 0.9688
SPE01500591 1.0000

active | Cluster 6041 | Additional Members: 22 | Rows returned: 152 3 Next >> 
LAT002B04 0.5375
SPE01500575 0.5375
Prest437 0.5375
LOPAC 00320 0.5375
Prest1278 0.5
SPE01503936 0.452054794520548

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