eletriptan   Click here for help

GtoPdb Ligand ID: 40

Synonyms: Relpax® | UK 116044
Approved drug
eletriptan is an approved drug (FDA (2002))
Compound class: Synthetic organic
Comment: Approved as eletriptan hydrobromide.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 61.55
Molecular weight 382.17
XLogP 3.91
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCCC1Cc1c[nH]c2c1cc(cc2)CCS(=O)(=O)c1ccccc1
Isomeric SMILES CN1CCC[C@@H]1Cc1c[nH]c2c1cc(cc2)CCS(=O)(=O)c1ccccc1
InChI InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2002))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7426 eletriptan
Synonyms Click here for help
Relpax® | UK 116044
Database Links Click here for help
Specialist databases
GPCRdb Ligand eletriptan
Other databases
CAS Registry No. 143322-58-1 (source: Scifinder)
ChEMBL Ligand CHEMBL1510
DrugBank Ligand DB00216
DrugCentral Ligand 995
GtoPdb PubChem SID 135650227
PubChem CID 77993
Search Google for chemical match using the InChIKey PWVXXGRKLHYWKM-LJQANCHMSA-N
Search Google for chemicals with the same backbone PWVXXGRKLHYWKM
Search PubMed clinical trials eletriptan
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Search PubMed titles/abstracts eletriptan
UniChem Compound Search for chemical match using the InChIKey PWVXXGRKLHYWKM-LJQANCHMSA-N
UniChem Connectivity Search for chemical match using the InChIKey PWVXXGRKLHYWKM-LJQANCHMSA-N
Wikipedia Eletriptan