TRIFLUPROMAZINE

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Search structure


Trade Names	VESPRIN
Synonyms	Fluopromazine Nivoman Triflupromazine Vesprin Vetame
Status
Molecule Category	Free-form
ATC	N05AA05
UNII	RO16TQF95Y
EPA CompTox	DTXSID9023704


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	XSCGXQMFQXDFCW-UHFFFAOYSA-N
Smiles	CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChI	InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H19F3N2S
Molecular Weight	352.43
AlogP	5.26
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	4.0
Polar Surface Area	6.48
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	24.0

Pharmacology

Mechanism of Action	Action	Reference
Dopamine D2 receptor antagonist	ANTAGONIST	KEGG Other PubMed PubMed PubMed Wikipedia


Protein: Dopamine D2 receptor Description: D(2) dopamine receptor Organism : Homo sapiens P14416 ENSG00000149295

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	7400	-	-	45
Enzyme Oxidoreductase	-	-	-	30200	12
Transporter Primary active transporter ATP-binding cassette ABCB subfamily	-	39010	-	15700	-
Transporter	-	39010	-	15700	-

Assay Description	Organism	Bioactivity	Reference
Inhibition of bovine erythrocyte AChE using acetylthiocholine iodide as a substrate at 10 uM after 20 mins by Ellman's assay	Bos taurus	45.0 %
Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production at 5 uM preincubated with enzyme and taurine followed by H2O2 addition measured after 5 mins relative to control	Homo sapiens	12.35 %

Related Entries

Cross References

Resources	Reference
ChEBI	9711
ChEMBL	CHEMBL570
DrugBank	DB00508
DrugCentral	2742
FDA SRS	RO16TQF95Y
Human Metabolome Database	HMDB0014650
Guide to Pharmacology	4330
PharmGKB	PA451773
PubChem	5568
SureChEMBL	SCHEMBL44085
ZINC	ZINC000000538507

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).