GEMILUKAST

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(N1CCCC(O)=O)C(=CC=C2F)C#CC3=CC=C(OCCCCC4=CC=CC(F)=C4C)C=C3

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
Expression of CysLT2 receptors in asthma lung, and their possible role in bronchoconstriction.	2015 Oct	26433531
A dual CysLT(1/2) antagonist attenuates allergen-induced airway responses in subjects with mild allergic asthma.	2016 Dec	27444660

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:09:06 UTC 2023` Edited by `admin` on `Sat Dec 16 02:09:06 UTC 2023`
Record UNII	42I6GGX6D6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GEMILUKAST

Official Name

English

ONO-6950

Code

English

gemilukast [INN]

Common Name

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