Gemilukast
4-[1-(3-carboxypropyl)-4-fluoro-7-[2-[4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-3-yl]butanoic acid
Molecular Identity
Gemilukast
4-[1-(3-carboxypropyl)-4-fluoro-7-[2-[4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-3-yl]butanoic acid
PubChem CID: 46830962
2D Structure
Properties
C36H37F2NO5
Molecular Formula
601.70
Molecular Weight
g/mol
601.2640
Exact Mass
Da
7.5
XLogP
Above Lipinski threshold
88.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
988
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Gemilukast1232861-58-3ONO-695042I6GGX6D61H-Indole-1,3-dibutanoic acid, 4-fluoro-7-(2-(4-(4-(3-fluoro-2-methylphenyl)butoxy)phenyl)ethynyl)-2-methyl-gemilukastumRefChem:142857Gemilukast [INN]Gemilukast (ONO-6950)CHEMBL35976344-[1-(3-carboxypropyl)-4-fluoro-7-[2-[4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-3-yl]butanoic acidUNII-42I6GGX6D6ONO 6950GEMILUKAST [WHO-DD]SCHEMBL597344
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Gemilukast
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