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Ligand

NameCHEMBL113792
Molecular formulaC26H31NO3S
IUPAC name3-[[7-(1-hydroxynonyl)quinolin-2-yl]methylsulfanyl]benzoic acid
Molecular weight437.598
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.9
Synonyms3-[7-(1-Hydroxy-nonyl)-quinolin-2-ylmethylsulfanyl]-benzoic acid
BDBM50042146
3-[[[7-(1-Hydroxynonyl)quinolin-2-yl]methyl]thio]benzoic acid
Inchi KeyDWKSWMKBKAYEEJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31NO3S/c1-2-3-4-5-6-7-11-25(28)20-13-12-19-14-15-22(27-24(19)17-20)18-31-23-10-8-9-21(16-23)26(29)30/h8-10,12-17,25,28H,2-7,11,18H2,1H3,(H,29,30)
PubChem CID15658119
ChEMBLCHEMBL113792
IUPHARN/A
BindingDB50042146
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
70657Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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