EcoDrugPlus


Trade Names	HALDOL HALOPERIDOL DECANOATE
Synonyms	Haldol Haldol Dec Halomonth Haloperidol decanoate R-13,672 R-13672
Status
Molecule Category	Free-form
UNII	AC20PJ4101
EPA CompTox	DTXSID50224951

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SubStructure

Threshold (%) >= 70


InChI Key	GUTXTARXLVFHDK-UHFFFAOYSA-N
Smiles	CCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChI	InChI=1S/C31H41ClFNO3/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25/h12-19H,2-11,20-24H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C31H41ClFNO3
Molecular Weight	530.12
AlogP	8.12
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	15.0
Polar Surface Area	46.61
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	37.0

Mechanism of Action	Action	Reference
D2-like dopamine receptor inverse agonist	INVERSE AGONIST	ISBN PubMed DailyMed Wikipedia

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	-	-	-	0.46-140	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	0.46-5.8	-
Sus scrofa	-	-	-	140	-

Target Conservation


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

Cross References

Resources	Reference
CAS NUMBER	74050-97-8
ChEBI	31664
ChEMBL	CHEMBL1200986
DrugCentral	4496
FDA SRS	AC20PJ4101
PubChem	52919
SureChEMBL	SCHEMBL120575
ZINC	ZINC000008214574

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

HALOPERIDOL DECANOATE

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References