PALONOSETRON HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 23310D4I19
EPA CompTox DTXSID8046610
Parent Compound: PALONOSETRON

Structure

InChI Key OLDRWYVIKMSFFB-SSPJITILSA-N
Smiles Cl.O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2
InChI
InChI=1S/C19H24N2O.ClH/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;1H/t15-,17-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25ClN2O
Molecular Weight 332.88
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

Mechanism of Action Action Reference
Serotonin 3a (5-HT3a) receptor antagonist ANTAGONIST FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - 0.03981 -

Target Conservation

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

Cross References

Resources Reference
ChEBI 85157
ChEMBL CHEMBL1720
FDA SRS 23310D4I19
KEGG D07175
PubChem 6918303
SureChEMBL SCHEMBL182478
ZINC ZINC03795819
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