TROPISETRON

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A04AA03
UNII: 6I819NIK1W

Structure
InChI Key ZNRGQMMCGHDTEI-ITGUQSILSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Serotonin 3 (5-HT3) receptor antagonist PubMed Other
Primary Target
5-HT3A
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor
- 1-3 0-106 1-3 0-90
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
10-1300 1800 - 7-7 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
- 1800 - 27000 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor delta subunit
- - - 27000 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor gamma subunit
- - - 27000 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 3162 1995 125 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 2 D010146 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 89565-68-4
ChEBI 32269
ChEMBL CHEMBL56564
DrugBank DB11699
DrugCentral 2775
EPA CompTox DTXSID2044137
FDA SRS 6I819NIK1W
Guide to Pharmacology 260
KEGG C13666
PDB TKT
SureChEMBL SCHEMBL18297
ZINC ZINC000100019233
CONTENTS