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Ligand

NameVERLUKAST
Molecular formulaC26H27ClN2O3S2
IUPAC name3-[[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid
Molecular weight515.083
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.3
Synonyms(-)-5-(3-(2-(7-CHLOROQUINOLIN-2-YL)ETHENYL)PHENYL)-8-DIMETHYLCARBAMYL-4,6-DITHIAOCTANOIC ACID
FT-0672427
3-[[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid
AXUZQJFHDNNPFG-UHFFFAOYSA-N
SCHEMBL2729252
[ Show all ]
Inchi KeyAXUZQJFHDNNPFG-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)
PubChem CID60719
ChEMBLN/A
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17098Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337
17097Cysteinyl leukotriene receptor 2Q9NS75CYSLTR2Homo sapiens (Human)346

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