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Compound InformationSONAR Target prediction
Name:

THIORIDAZINE HYDROCHLORIDE

Unique Identifier:SPE01500575
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Source:synthetic
Therapeutics:antipsychotic
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: 115 active | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [115]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.9300±0.0019799
Normalized OD Score: sc h 0.4809±0.000540004
Z-Score: -18.2144±0.332653
p-Value: 0
Z-Factor: 0.947863
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:5|C2
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: 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
LOPAC 00320 1.0000

nonactive | Cluster 6041 | Additional Members: 22 | Rows returned: 19<< Back 1 2 3 4 Next >> 
Prest893 0.306451612903226
SPE01503118 0.306451612903226
LOPAC 01241 0.306451612903226
SPE01500505 0.253968253968254
LOPAC 00300 0.253968253968254
Prest410 0.253968253968254

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