BILASTINE

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Search structure


Synonyms	Bilastine Ilaxten
Status
Molecule Category	Free-form
ATC	R06AX29
UNII	PA1123N395
EPA CompTox	DTXSID5057678

Structure


InChI Key	ACCMWZWAEFYUGZ-UHFFFAOYSA-N
Smiles	CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)O)cc3)CC2)nc2ccccc21
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)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C28H37N3O3
Molecular Weight	463.62
AlogP	4.86
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	10.0
Polar Surface Area	67.59
Molecular species	ZWITTERION
Aromatic Rings	3.0
Heavy Atoms	34.0

Pharmacology

Mechanism of Action	Action	Reference
Histamine H1 receptor inverse agonist	INVERSE AGONIST	PubMed PubMed PubMed PubMed PubMed PubMed

Target Conservation


Protein: Histamine H1 receptor Description: Histamine H1 receptor Organism : Homo sapiens P35367 ENSG00000196639

Cross References

Resources	Reference
ChEBI	135954
ChEMBL	CHEMBL1742423
DrugBank	DB11591
DrugCentral	4353
FDA SRS	PA1123N395
Human Metabolome Database	HMDB0240232
PubChem	185460
SureChEMBL	SCHEMBL991810
ZINC	ZINC000003822702

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025