GEMILUKAST

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C36H37F2NO5
Molecular Weight	601.6795
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(CCCC(O)=O)C2=C(F)C=CC(C#CC3=CC=C(OCCCCC4=CC=CC(F)=C4C)C=C3)=C2N1CCCC(O)=O

InChI

InChIKey=SILHYVDKGHXGBL-UHFFFAOYSA-N

InChI=1S/C36H37F2NO5/c1-24-27(9-5-11-31(24)37)8-3-4-23-44-29-19-15-26(16-20-29)14-17-28-18-21-32(38)35-30(10-6-12-33(40)41)25(2)39(36(28)35)22-7-13-34(42)43/h5,9,11,15-16,18-21H,3-4,6-8,10,12-13,22-23H2,1-2H3,(H,40,41)(H,42,43)

HIDE SMILES / InChI

Molecular Formula	C36H37F2NO5
Molecular Weight	601.6795
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26200813 | https://www.medkoo.com/products/6769 | https://www.ncbi.nlm.nih.gov/pubmed/27444660

Gemilukast (ONO-6950) is an orally active compound that has been evaluated for the treatment of asthma. It is an CysLT1 and CysLT2 antagonist. Activation of CysLT2 receptors has been suggested to contribute to antigen-induced bronchoconstriction (constriction of the airways in the lungs) in certain asthma patients. In addition to its CysLT1 and CysLT2 antagonist activity, Gemilukast was shown to dose-dependently reduce LTC4-induced bronchoconstriction in asthmatic models, and reduce antigen-induced constriction of isolated human bronchi. A phase II trial with Gemilukast was discontinued in 2018.

Approval Year

PubMed

Title	Date	PubMed
A dual CysLT1/2 antagonist attenuates allergen-induced airway responses in subjects with mild allergic asthma.	2016-12	27444660
Effects of ONO-6950, a novel dual cysteinyl leukotriene 1 and 2 receptors antagonist, in a guinea pig model of asthma.	2015-10-15	26318198
Expression of CysLT2 receptors in asthma lung, and their possible role in bronchoconstriction.	2015-10	26433531
Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma.	2015-08-13	26200813

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:09:08 GMT 2025` Edited by `admin` on `Mon Mar 31 21:09:08 GMT 2025`
Record UNII	42I6GGX6D6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

gemilukast [INN]

Preferred Name

English

GEMILUKAST

Official Name

English

ONO-6950

Code

English

Gemilukast [WHO-DD]

Common Name

English

1H-INDOLE-1,3-DIBUTANOIC ACID, 4-FLUORO-7-(2-(4-(4-(3-FLUORO-2-METHYLPHENYL)BUTOXY)PHENYL)ETHYNYL)-2-METHYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

42I6GGX6D6