vilanterol   Click here for help

GtoPdb Ligand ID: 7353

Synonyms: GW642444X
Approved drug Immunopharmacology Ligand
vilanterol is an approved drug (FDA (2013))
Compound class: Synthetic organic
Comment: Vilanterol is an ultra-long-acting β2-adrenoreceptor agonist, belonging to a group of drugs termed ultra-LABAs.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 16
Topological polar surface area 91.18
Molecular weight 485.17
XLogP 4.15
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OCc1cc(ccc1O)C(CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O
Isomeric SMILES OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O
InChI InChI=1S/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/m0/s1
InChI Key DAFYYTQWSAWIGS-DEOSSOPVSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2013))
IUPAC Name Click here for help
4-[(1R)-2-[(6-{2-[(2,6-dichlorophenyl)methoxy]ethoxy}hexyl)amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
International Nonproprietary Names Click here for help
INN number INN
9198 vilanterol
Synonyms Click here for help
GW642444X
Database Links Click here for help
CAS Registry No. 503068-34-6 (source: Scifinder)
ChEMBL Ligand CHEMBL1198857
DrugCentral Ligand 4799
GtoPdb PubChem SID 178103925
PubChem CID 10184665
Search Google for chemical match using the InChIKey DAFYYTQWSAWIGS-DEOSSOPVSA-N
Search Google for chemicals with the same backbone DAFYYTQWSAWIGS
Search PubMed clinical trials vilanterol
Search PubMed titles vilanterol
Search PubMed titles/abstracts vilanterol
Search UniChem for chemical match using the InChIKey DAFYYTQWSAWIGS-DEOSSOPVSA-N
Search UniChem for chemicals with the same backbone DAFYYTQWSAWIGS
Wikipedia Vilanterol