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Ligand

NameCHEMBL344756
Molecular formulaC33H32ClNO4S
IUPAC name(2S)-3-[(1S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(2-ethoxycarbonylphenyl)propyl]sulfanyl-2-methylpropanoic acid
Molecular weight574.132
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP8.2
Synonyms2-((S)-3-((S)-2-Carboxy-propylsulfanyl)-3-{3-[(E)-2-(7-chloro-quinolin-2-yl)-vinyl]-phenyl}-propyl)-benzoic acid ethyl ester
BDBM50283942
Inchi KeyBNXUHPAPHBXDAG-OKGRURTHSA-N
Inchi IDInChI=1S/C33H32ClNO4S/c1-3-39-33(38)29-10-5-4-8-24(29)14-18-31(40-21-22(2)32(36)37)26-9-6-7-23(19-26)11-16-28-17-13-25-12-15-27(34)20-30(25)35-28/h4-13,15-17,19-20,22,31H,3,14,18,21H2,1-2H3,(H,36,37)/b16-11+/t22-,31+/m1/s1
PubChem CID44361525
ChEMBLCHEMBL344756
IUPHARN/A
BindingDB50283942
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
28523Cysteinyl leukotriene receptor 1Q2NNR5CYSLTR1Cavia porcellus (Guinea pig)340

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