TRIFLUPERIDOL


Synonyms	MCN-JR-2498 NSC-170978 R-2498 Trifluperidol Triperidol
Status
Molecule Category	Free-form
ATC	N05AD02
UNII	R8869Q7R8I
EPA CompTox	DTXSID4023703


InChI Key	GPMXUUPHFNMNDH-UHFFFAOYSA-N
Smiles	O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1
InChI	InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2

Property Name	Value
Molecular Formula	C22H23F4NO2
Molecular Weight	409.42
AlogP	4.79
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	40.54
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	29.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6	-	-	-	170	-
Enzyme Isomerase	-	-	-	0.15-165	-
Membrane receptor	-	-	-	0.8-0.83	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	-	-	0.83	-
Homo sapiens	-	-	-	165-170	-
Rattus norvegicus	-	-	-	0.8	-
Saccharomyces cerevisiae	-	-	-	0.15	-

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	135662
ChEMBL	CHEMBL15023
DrugBank	DB13552
DrugCentral	2741
FDA SRS	R8869Q7R8I
PubChem	5567
SureChEMBL	SCHEMBL120862
ZINC	ZINC000000538505

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

TRIFLUPERIDOL

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Physicochemical Descriptors

Pharmacology

Related Entries

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