PALONOSETRON

Search structure
Synonyms:
Status: Approved (2003)
Entry Type: Small molecule
Molecule Category: Parent
ATC: A04AA05
UNII: 5D06587D6R

Structure
InChI Key CPZBLNMUGSZIPR-NVXWUHKLSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 23.55
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Primary Target
5-HT3A
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Auxiliary transport protein Slow voltage-gated potassium channel accessory protein family
- 50119 - - -
Ion channel Ligand-gated ion channel 5HT3 receptor
- 1-13 0-1 0 -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 1995-3981 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 19953 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Nausea 4 D009325 ClinicalTrials
Postoperative Nausea and Vomiting 3 D020250 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Postoperative Nausea and Vomiting 3 D020250 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Strabismus 3 D013285 ClinicalTrials
Glioma 2 D005910 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Brain Neoplasms 2 D001932 ClinicalTrials
Vomiting 1 D014839 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 135729-56-5
ChEBI 85161
ChEMBL CHEMBL1189679
DrugBank DB00377
DrugCentral 2046
EPA CompTox DTXSID5048342
FDA SRS 5D06587D6R
Guide to Pharmacology 7486
PDB O7B
PubChem 6337614
SureChEMBL SCHEMBL3746
ZINC ZINC000003795819
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