EcoDrugPlus


Trade Names	INVEGA PALIPERIDONE
Synonyms	9-hydroxyrisperidone Invega NSC-759623 Paliperidone R-76477 RO-76477 RO76477 Risperidone impurity, 9-hydroxyrisperidone- Trevicta Xeplion
Status
Molecule Category	Free-form
ATC	N05AX13
UNII	838F01T721

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

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Similarity

SubStructure

Threshold (%) >= 70


InChI Key	PMXMIIMHBWHSKN-UHFFFAOYSA-N
Smiles	Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O
InChI	InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C23H27FN4O3
Molecular Weight	426.49
AlogP	3.08
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	84.39
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	31.0

Mechanism of Action	Action	Reference
Dopamine D2 receptor antagonist	ANTAGONIST	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor	-	8.28	-	-	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor	-	5.2	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	5.2-8.28	-	-	-

Target Conservation


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












Protein: Serotonin 2a (5-HT2a) receptor Description: 5-hydroxytryptamine receptor 2A Organism : Homo sapiens P28223 ENSG00000102468

Environmental Exposure

Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Slovakia
Slovenia

Cross References

Resources	Reference
ChEBI	83804
ChEMBL	CHEMBL1621
DrugBank	DB01267
DrugCentral	4137
FDA SRS	838F01T721
Human Metabolome Database	HMDB0015396
Guide to Pharmacology	7258
KEGG	D05339
PharmGKB	PA163518919
PubChem	115237
SureChEMBL	SCHEMBL436689
ZINC	ZINC04214700

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

PALIPERIDONE

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Environmental Exposure

Cross References