EBASTINE

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Search structure


Synonyms	Ebastine Kestine LAS W-090 LAS-W-090 RP 64305 RP-64305
Status
Molecule Category	Free-form
ATC	R06AX22
UNII	TQD7Q784P1
EPA CompTox	DTXSID6046472

Structure


InChI Key	MJJALKDDGIKVBE-UHFFFAOYSA-N
Smiles	CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1
InChI	InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C32H39NO2
Molecular Weight	469.67
AlogP	7.22
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	9.0
Polar Surface Area	29.54
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	35.0

Pharmacology

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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	331.13	-	-	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor	-	183	-	-	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor	-	61	-	-	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor	-	45	-	-	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor	-	47	-	-	-
Transporter Electrochemical transporter	-	-	-	-	88.3
Transporter Primary active transporter ATP-binding cassette ABCB subfamily	-	-	-	-	99

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	45-183	-	-	-
Homo sapiens	-	331.13	-	-	99
Staphylococcus aureus	-	-	-	-	88.3

Target Conservation


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

Cross References

Resources	Reference
ChEBI	31528
ChEMBL	CHEMBL305660
DrugBank	DB11742
DrugCentral	977
FDA SRS	TQD7Q784P1
Human Metabolome Database	HMDB0060159
PubChem	3191
SureChEMBL	SCHEMBL18467
ZINC	ZINC000003781952

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