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Compound InformationSONAR Target prediction
Name:

Fluphenazine dihydrochloride

Unique Identifier:LOPAC 00285
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22Cl2F3H28N3OS
Molecular Weight:482.222 g/mol
X log p:16.56  (online calculus)
Lipinksi Failures1
TPSA35.02
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:7
Canonical Smiles:Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Class:Dopamine
Action:Antagonist
Selectivity:D1/D2
Generic_name:Fluphenazine
Chemical_iupac_name:2-[4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol
Drug_type:Approved Drug
Pharmgkb_id:PA449676
Drugbank_id:APRD00633
Melting_point:< 25 oC
H2o_solubility:31.1 mg/L
Logp:4.552
Isoelectric_point:7.9
Cas_registry_number:69-23-8
Drug_category:Antipsychotics; Phenothiazines; ATC:N05AB02
Indication:For management of manifestations of psychotic disorders.
Pharmacology:Fluphenazine is a trifluoro-methyl phenothiazine derivative intended for the
management of schizophrenia and other psychotic disorders. Fluphenazine has not been
shown effective in the management of behaviorial complications in patients with
mental retardation.
Mechanism_of_action:Fluphenazine 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: 1 active | as graph: single | with analogs
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.5224±0.0217082
Normalized OD Score: sc h 0.7811±0.0362457
Z-Score: -5.9584±0.516089
p-Value: 0.0000000112602
Z-Factor: -0.555938
Fitness Defect: 18.302
Bioactivity Statement: Active
Experimental Conditions
Library:Lopac
Plate Number and Position:7|H6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2005-11-15 YYYY-MM-DD
Plate CH Control (+):0.038900000000000004±0.00192
Plate DMSO Control (-):0.7448250000000001±0.04802
Plate Z-Factor:0.7338
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DBLink | Rows returned: 5
3372 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol
67356 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol dihydrochloride
657374 hydrogen(+1) cation; 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol;
chloride
4427352 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-2,3,5,6-tetrahydropyrazin-1-yl]ethanol
6602611 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol hydrochloride

internal high similarity DBLink | Rows returned: 3
LOPAC 00319 0.9528
SPE01500591 0.9688
SPE01500994 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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