TROPISETRON


Synonyms	ICS-205-930 NSC-759842 Navoban Novaban SDZ-ICS-930 Tropisetron Tropisetron (as hydrochloride) Tropisetron hcl Tropisetron hydrochloride Tropisetron monohydrochloride
Status
Molecule Category	Free-form
ATC	A04AA03
UNII	6I819NIK1W
EPA CompTox	DTXSID2044137

Structure


InChI Key	ZNRGQMMCGHDTEI-ITGUQSILSA-N
Smiles	CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1c[nH]c3ccccc13)C2
InChI	InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H20N2O2
Molecular Weight	284.36
AlogP	2.95
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	45.33
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	21.0

Pharmacology

Mechanism of Action	Action	Reference
Serotonin 3 (5-HT3) receptor antagonist	ANTAGONIST	PubMed Other

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor	-	1.259-3.1	0.02512-106	0.6026-33	0.1-90
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit	10	-	-	6.9-6.9	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor	-	-	-	5.3-199.53	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	-	12.59-30.2	125.1	-
Homo sapiens	-	-	-	5.3-6.9	-
Oryctolagus cuniculus	-	-	0.02512-106	-	-
Rattus norvegicus	10	1.4-3.1	-	1.28-63	66-90

Target Conservation


Protein: Serotonin 3 (5-HT3) receptor Description: 5-hydroxytryptamine receptor 3E Organism : Homo sapiens A5X5Y0 ENSG00000186038





Protein: Serotonin 3 (5-HT3) receptor Description: 5-hydroxytryptamine receptor 3B Organism : Homo sapiens O95264 ENSG00000149305










Protein: Serotonin 3 (5-HT3) receptor Description: 5-hydroxytryptamine receptor 3A Organism : Homo sapiens P46098 ENSG00000166736












Protein: Serotonin 3 (5-HT3) receptor Description: 5-hydroxytryptamine receptor 3D Organism : Homo sapiens Q70Z44 ENSG00000186090






Protein: Serotonin 3 (5-HT3) receptor Description: 5-hydroxytryptamine receptor 3C Organism : Homo sapiens Q8WXA8 ENSG00000178084

Related Entries

Cross References

Resources	Reference
ChEBI	32269
ChEMBL	CHEMBL56564
DrugBank	DB11699
DrugCentral	2775
FDA SRS	6I819NIK1W
Guide to Pharmacology	260
KEGG	C13666
PDB	TKT
SureChEMBL	SCHEMBL18297
ZINC	ZINC000100019233

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...

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

Last update: Monday, 3 November 2025