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Ligand

NameMontelukast Gem-dimethylmethylene Analogue
Molecular formulaC35H38ClNO3S
IUPAC name4-[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl-3,3-dimethylbutanoic acid
Molecular weight588.203
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP8.3
Synonyms[R-(E)]-3-[[[1-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-3-methylbutanoic Acid
CHEMBL99775
RT-013936
162489-70-5
BDBM50286260
[ Show all ]
Inchi KeyAQCSHUUQIJHHLI-FQUAKNSKSA-N
Inchi IDInChI=1S/C35H38ClNO3S/c1-34(2,22-33(38)39)23-41-32(19-15-25-9-5-6-11-30(25)35(3,4)40)27-10-7-8-24(20-27)12-17-29-18-14-26-13-16-28(36)21-31(26)37-29/h5-14,16-18,20-21,32,40H,15,19,22-23H2,1-4H3,(H,38,39)/b17-12+/t32-/m1/s1
PubChem CID10099896
ChEMBLCHEMBL99775
IUPHARN/A
BindingDB50286260
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11572Cysteinyl leukotriene receptor 1Q2NNR5CYSLTR1Cavia porcellus (Guinea pig)340

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