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Compound InformationSONAR Target prediction
Name:

Triflupromazine hydrochloride

Unique Identifier:LOPAC 01241
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18ClF3H20N2S
Molecular Weight:368.72 g/mol
X log p:16.868  (online calculus)
Lipinksi Failures1
TPSA31.78
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:5
Canonical Smiles:Cl.CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Class:Dopamine
Action:Antagonist
Selectivity:DRD2
Generic_name:Triflupromazine
Chemical_iupac_name:N,N-dimethyl-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]-propan-1-amine
Drug_type:Approved Drug
Pharmgkb_id:PA451773
Kegg_compound_id:C07169
Drugbank_id:APRD00465
Logp:5.888
Cas_registry_number:146-54-3
Mass_spectrum:http://webbook.nist.gov/cgi/cbook.cgi?Spec=C146543&Index=0&Type=Mass&Large=on
Drug_category:Antipsychotics; Antiemetics; ATC:N05AA05
Indication:Used mainly in the management of psychoses. Also used to control nausea and
vomiting.
Pharmacology:Triflupromazine is a member of a class of drugs called phenthiazines, which are
dopamine D1/D2 receptor antagonists. Phenothiazines are used to treat serious mental
and emotional disorders, including schizophrenia and other psychotic disorders. It
reduces anxiety, emotional withdrawal, hallucinations, disorganized thoughts,
blunted mood, and suspiciousness. Triflupromazine is used particularly to control
violent behavior during acute episodes of psychotic disorders. It can also be used
to control severe nausea and vomiting, severe hiccups, and moderate to severe pain
in some hospitalized patients. Triflupromazine acts on the central nervous system.
Mechanism_of_action:Triflupromazine binds to the dopamine D1 and dopamine D2 receptors and inhibits
their activity. The mechanism of the anti-emetic effect is due predominantly to
blockage of the dopamine D2 neurotransmitter receptors in the chemoreceptor trigger
zone (CTZ) and vomiting centre. Triflupromazine blocks the neurotransmitter dopamine
and the vagus nerve in the gastrointestinal tract. Triflupromazine also binds the
muscarinic acetylcholine receptors (M1 and M2) and the tryptamine D receptors
(5HT2B).
Organisms_affected:Humans and other mammals

Found: 22 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [22]
Species: 4932
Condition: CLN3
Replicates: 2
Raw OD Value: r im 0.7060±0.00205061
Normalized OD Score: sc h 0.9902±0.0165752
Z-Score: -0.2948±0.521061
p-Value: 0.72423
Z-Factor: -8.06423
Fitness Defect: 0.3226
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:15|C7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.90 Celcius
Date:2005-05-08 YYYY-MM-DD
Plate CH Control (+):0.049±0.00111
Plate DMSO Control (-):0.71575±0.05658
Plate Z-Factor:0.6942
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DBLink | Rows returned: 4
5568 N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
66069 N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine hydrochloride
72136 N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
657251 N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine; hydrogen(+1) cation; chloride

internal high similarity DBLink | Rows returned: 3
SPE01500591 0.9194
LOPAC 00319 0.9256
SPE01503118 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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