eletriptan

Ligand id: 40

Name: eletriptan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 61.55
Molecular weight 382.17
XLogP 4.61
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2002))
IUPAC Name
3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(2-phenylsulfonylethyl)-1H-indole
International Nonproprietary Names
INN number INN
7426 eletriptan
Synonyms
Relpax® | UK 116044
Database Links
CAS Registry No. 143322-58-1 (source: Scifinder)
ChEBI CHEBI:50922
ChEMBL Ligand CHEMBL1510
DrugBank Ligand DB00216
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
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Search UniChem for chemical match using the InChIKey PWVXXGRKLHYWKM-LJQANCHMSA-N
Search UniChem for chemicals with the same backbone PWVXXGRKLHYWKM
Wikipedia Eletriptan
Comments
Approved as eletriptan hydrobromide.