PALONOSETRON

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Search structure


Synonyms	(-)-palonosetron Aurothioglucose NSC-743769 Palonosetron Palonosetron, (3as, 3s)-
Status
Molecule Category	Free-form
ATC	A04AA05
UNII	5D06587D6R
EPA CompTox	DTXSID5048342

Structure


InChI Key	CPZBLNMUGSZIPR-NVXWUHKLSA-N
Smiles	O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2
InChI	InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H24N2O
Molecular Weight	296.41
AlogP	2.66
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	23.55
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	22.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor	-	0.83-13.1	0.14-0.87	0.03162	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	0.34-13.1	0.14-0.87	-	-

Cross References

Resources	Reference
ChEBI	85161
ChEMBL	CHEMBL1189679
DrugBank	DB00377
DrugCentral	2046
FDA SRS	5D06587D6R
Guide to Pharmacology	7486
PDB	O7B
PubChem	6337614
SureChEMBL	SCHEMBL3746
ZINC	ZINC000003795819

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