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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Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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View interactive charts of activity data across species
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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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)
InChI Key ACCMWZWAEFYUGZ-UHFFFAOYSA-N
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
Search Google for chemicals with the same backbone ACCMWZWAEFYUGZ
Search PubMed clinical trials bilastine
Search PubMed titles bilastine
Search PubMed titles/abstracts bilastine
UniChem Compound Search for chemical match using the InChIKey ACCMWZWAEFYUGZ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ACCMWZWAEFYUGZ-UHFFFAOYSA-N