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)
Bioactivity Comments
Bilastine displaces [3H]-pyrilamine from H1 receptors expressed in guinea-pig cerebellum and human embryonic kidney (HEK) cell lines [1].
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
H1 receptor Hs Antagonist Antagonist 7.2 pKi - 1
pKi 7.2 (Ki 6.4x10-8 M) [1]
Description: Binding to human recombinant histamine H1 receptors