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
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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2013))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9198 vilanterol
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand vilanterol
Other databases
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
UniChem Compound Search for chemical match using the InChIKey DAFYYTQWSAWIGS-DEOSSOPVSA-N
UniChem Connectivity Search for chemical match using the InChIKey DAFYYTQWSAWIGS-DEOSSOPVSA-N
Wikipedia Vilanterol