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Ligand

NameCHEMBL429975
Molecular formulaC38H36ClN2O6S2-
IUPAC name2-[[1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-[2-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]propyl]sulfanylmethyl]butanoate
Molecular weight716.284
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP9.0
SynonymsBDBM50280688
Sodium; 2-{1-[3-(7-chloro-quinolin-2-ylmethoxy)-phenyl]-3-[2-(toluene-2-sulfonylaminocarbonyl)-phenyl]-propylsulfanylmethyl}-butyrate
Inchi KeyBGWKUVIKPAIWNA-UHFFFAOYSA-M
Inchi IDInChI=1S/C38H37ClN2O6S2/c1-3-26(38(43)44)24-48-35(29-11-8-12-32(21-29)47-23-31-19-16-28-15-18-30(39)22-34(28)40-31)20-17-27-10-5-6-13-33(27)37(42)41-49(45,46)36-14-7-4-9-25(36)2/h4-16,18-19,21-22,26,35H,3,17,20,23-24H2,1-2H3,(H,41,42)(H,43,44)/p-1
PubChem CID91934668
ChEMBLN/A
IUPHARN/A
BindingDB50280688
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
23481Cysteinyl leukotriene receptor 1Q2NNR5CYSLTR1Cavia porcellus (Guinea pig)340

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