ONDANSETRON

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Search structure


Trade Names	ONDANSETRON ZOFRAN ODT ZUPLENZ
Synonyms	A04AA01 Desmethylondansetron EUR-1025 GR-38032 GR-38032F NSC-757870 Ondansetron Zofran Zofran odt Zuplenz
Status
Molecule Category	Free-form
ATC	A04AA01
UNII	4AF302ESOS
EPA CompTox	DTXSID8023393

Structure


InChI Key	FELGMEQIXOGIFQ-UHFFFAOYSA-N
Smiles	Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O
InChI	InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H19N3O
Molecular Weight	293.37
AlogP	3.13
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	39.82
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	22.0

Pharmacology

Mechanism of Action	Action	Reference
Serotonin 3a (5-HT3a) receptor antagonist	ANTAGONIST	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor	-	0.09-46	0.07943-125.89	0.77-16.2	0.3-90
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	400-812.83	-	-	-
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Cholecystokinin receptor	-	-	-	680	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor	-	-	-	-	0.6
Membrane receptor	-	-	-	680	0.6
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	-8.7-4.8
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	890	-	-	63.8
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters	-	30-300	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	240	0.1259-125.89	7.6	62.3-62.3
Homo sapiens	-	0.09-890	-	2.8-3.4	-8.7-63.8
Oryctolagus cuniculus	-	-	0.07943-0.631	-	-
Rattus norvegicus	-	0.16-46	1.023-158.49	0.77-16.2	43-90

Target Conservation


Protein: Serotonin 3a (5-HT3a) receptor Description: 5-hydroxytryptamine receptor 3A Organism : Homo sapiens P46098 ENSG00000166736

Cross References

Resources	Reference
ChEBI	7773
ChEMBL	CHEMBL46
DrugBank	DB00904
DrugCentral	1992
FDA SRS	4AF302ESOS
Human Metabolome Database	HMDB0005035
Guide to Pharmacology	2290
KEGG	C07325
PDB	S87
PharmGKB	PA450705
PubChem	4595
SureChEMBL	SCHEMBL4542
ZINC	ZINC00075126

CONTENTS

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