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Compound InformationSONAR Target prediction
Name:

Thioridazine hydrochloride

Unique Identifier:LOPAC 00320
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21ClH27N2S2
Molecular Weight:379.823 g/mol
X log p:16.127  (online calculus)
Lipinksi Failures1
TPSA57.08
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:4
Canonical Smiles:Cl.CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Class:Dopamine
Action:Antagonist
Selectivity:D1/D2
Generic_name:Thioridazine
Chemical_iupac_name:10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylsulfanyl-phenothiazine
Drug_type:Approved Drug
Pharmgkb_id:PA451666
Kegg_compound_id:C07133
Drugbank_id:APRD00596
Melting_point:73 oC
H2o_solubility:0.0336 mg/L
Logp:6.552
Isoelectric_point:9.5
Cas_registry_number:50-52-2
Mass_spectrum:http://webbook.nist.gov/cgi/cbook.cgi?Spec=C50522&Index=0&Type=Mass&Large=on
Drug_category:Antipsychotics; Dopamine Antagonists; Phenothiazines; ATC:N05AC02
Indication:For the treatment of schizophrenia and generalized anxiety disorder.
Pharmacology:Thioridazine is a trifluoro-methyl phenothiazine derivative intended for the
management of schizophrenia and other psychotic disorders. Thioridazine has not been
shown effective in the management of behaviorial complications in patients with
mental retardation.
Mechanism_of_action:Thioridazine blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors in the
brain; blocks alpha-adrenergic effect, 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: 9 active | as graph: single | with analogs 2 3 4 5 6 7 8 9 Next >> 
Species: 4932
Condition: DEP1
Replicates: 2
Raw OD Value: r im 0.5419±0.0209304
Normalized OD Score: sc h 0.8642±0.0193766
Z-Score: -5.5962±1.047
p-Value: 0.000000599494
Z-Factor: -0.487938
Fitness Defect: 14.3272
Bioactivity Statement: Active
Experimental Conditions
Library:Lopac
Plate Number and Position:16|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2005-11-16 YYYY-MM-DD
Plate CH Control (+):0.03945±0.00198
Plate DMSO Control (-):0.6154999999999999±0.02552
Plate Z-Factor:0.8771
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DBLink | Rows returned: 4
5452 10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylsulfanyl-phenothiazine
66062 10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylsulfanyl-phenothiazine hydrochloride
657213 hydrogen(+1) cation; 10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylsulfanyl-phenothiazine; chloride
6604030 10-[2-[(2R)-1-methyl-2-piperidyl]ethyl]-2-methylsulfanyl-phenothiazine

internal high similarity DBLink | Rows returned: 1
SPE01500575 1.0000

nonactive | Cluster 6041 | Additional Members: 22 | Rows returned: 192 3 4 Next >> 
Prest853 0.555555555555556
LAT002B04 0.5375
SPE01500575 0.5375
Prest437 0.5375
SPE01503936 0.452054794520548
Prest537 0.357142857142857

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