bilastine   Click here for help

GtoPdb Ligand ID: 11579

Synonyms: Bilaxten® | Ilaxten®
Approved drug
bilastine is an approved drug (UK (2010))
Compound class: Synthetic organic
Comment: Bilastine is a non-sedating histamine H1 receptor antagonist/inverse agonist [2-3]. A repurposing screen of small molecule drugs discovered that bilastine inhibits SARS-CoV-2 Mpro activity by around 20% (see CHEMBL4495564).
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2D Structure
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Canonical SMILES CCOCCn1c(nc2c1cccc2)C1CCN(CC1)CCc1ccc(cc1)C(C(=O)O)(C)C
Isomeric SMILES CCOCCn1c(nc2c1cccc2)C1CCN(CC1)CCc1ccc(cc1)C(C(=O)O)(C)C
InChI InChI=1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (UK (2010))
IUPAC Name Click here for help
2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
International Nonproprietary Names Click here for help
INN number INN
7905 bilastine
Synonyms Click here for help
Bilaxten® | Ilaxten®
Database Links Click here for help
Specialist databases
GPCRdb Ligand bilastine
Other databases
CAS Registry No. 202189-78-4 (source: WHO INN record)
ChEMBL Ligand CHEMBL1742423
DrugBank Ligand DB11591
GtoPdb PubChem SID 441604951
PubChem CID 185460
Search Google for chemical match using the InChIKey ACCMWZWAEFYUGZ-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey ACCMWZWAEFYUGZ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ACCMWZWAEFYUGZ-UHFFFAOYSA-N