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Ligand

NameMONTELUKAST SODIUM
Molecular formulaC35H35ClNNaO3S
IUPAC namesodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate
Molecular weight608.169
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogPNone
SynonymsLukasm
MolPort-002-885-842
Montelukast sodium, 98%
SCHEMBL9415
1-[[[(R)-1-[3-[2-(7-Chloro-2-quinolyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-1-cyclopropaneacetic acid sodium salt
[ Show all ]
Inchi KeyLBFBRXGCXUHRJY-HKHDRNBDSA-M
Inchi IDInChI=1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);/q;+1/p-1/b15-10+;/t32-;/m1./s1
PubChem CID23663996
ChEMBLCHEMBL1200681
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
526723Cysteinyl leukotriene receptor 1Q99JA4Cysltr1Mus musculus (Mouse)352
526724Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337
526722Cysteinyl leukotriene receptor 2Q9NS75CYSLTR2Homo sapiens (Human)346

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