EcoDrugPlus

None is not found in the database.


Trade Names	HALDOL HALDOL SOLUTAB HALOPERIDOL
Synonyms	Dolpin Dozic Fortunan Haldol Haldol solutab Haloperidol Haloperidol decanoate impurity, haloperidol- Kentace Keselen MCN-JR-1625 NSC-170973 NSC-615296 R-1625 Serenace
Status
Molecule Category	Free-form
ATC	N05AD01
UNII	J6292F8L3D
EPA CompTox	DTXSID4034150

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

Search:

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Similarity

SubStructure

Threshold (%) >= 70


InChI Key	LNEPOXFFQSENCJ-UHFFFAOYSA-N
Smiles	O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChI	InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H23ClFNO2
Molecular Weight	375.87
AlogP	4.43
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	26.0

Mechanism of Action	Action	Reference
D2-like dopamine receptor inverse agonist	INVERSE AGONIST	ISBN PubMed Wikipedia
Serotonin 2a (5-HT2a) receptor antagonist	ANTAGONIST	ISBN PubMed Wikipedia

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Isomerase	-	-	-	0.5-190	-
Enzyme Oxidoreductase	-	-	-	-	28
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A2A subfamily	-	-	-	100	-
Enzyme Protease Cysteine protease Cysteine protease PAC clan Cysteine protease C3A subfamily	-	-	-	100	-
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor	-	-	-	-	25
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	10-230	-	120-512	-
Ion channel Voltage-gated ion channel Voltage-gated sodium channel	-	-	-	-	85.5
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor	-	54	-	238	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor	-	7-130	17.38	1-146	14
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor	17	0.06-550	0.4898-316.23	0.12-467	-12.1-103
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor	-	-	-	384-730	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor	-	18-360	-	4.2-435	58
Membrane receptor	17	0.06-550	0.4898-316.23	0.12-467	-12.1-103
Other membrane protein	-	-	-	0.83-9.2	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC18 family of vesicular amine transporters	-	-	-	391	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	92.15-111.73
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	-	-	-	67.1
Transporter Primary active transporter ATP-binding cassette ABCB subfamily	-	-	-	200	-
Unclassified protein	-	-	-	6.6-125	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Bos taurus	-	1.8-500	-	0.7-6.31	-
Canis lupus familiaris	-	5	-	-	-
Cavia porcellus	-	2.1-17	-	0.2-398.11	85.5
Chlorocebus aethiops	-	-	-	4.8	-
Cricetulus griseus	-	8.8	-	-	92.15-111.73
Homo sapiens	-	0.06-550	0.4898-316.23	0.1-512	-4.1-103
Human immunodeficiency virus 1	-	-	-	100	-
Human immunodeficiency virus 2	-	-	-	100	-
Mus musculus	-	-	-	-	0-0
Rattus norvegicus	-	0.28-185	17.38-102.33	0.2-400	-45-100
Saccharomyces cerevisiae	-	-	-	0.5	-
Saimiri sciureus	-	-	-	-	2-30
Spodoptera frugiperda	-	-	-	18	-
Sus scrofa	-	-	-	6.8-98	-
monkey	-	-	-	3-5	-

Target Conservation


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

Environmental Exposure

Countries
Croatia
Germany
Romania
Serbia
Slovenia

Cross References

Resources	Reference
CAS NUMBER	52-86-8
ChEBI	5613
ChEMBL	CHEMBL54
DrugBank	DB00502
DrugCentral	1353
FDA SRS	J6292F8L3D
Human Metabolome Database	HMDB0014645
Guide to Pharmacology	86
KEGG	C01814
PDB	GMJ
PharmGKB	PA449841
PubChem	3559
SureChEMBL	SCHEMBL8264
ZINC	ZINC000000537822

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, 23^rd March 2026

HALOPERIDOL

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Environmental Exposure

Cross References