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Ligand

NameCHEMBL1094348
Molecular formulaC38H39FO8
IUPAC name4-[3-[6-[3-(1,3-benzodioxol-5-yl)-5-(3-fluorophenyl)phenoxy]hexyl]-2-(2-carboxyethyl)phenoxy]butanoic acid
Molecular weight642.72
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP8.4
SynonymsSCHEMBL1689717
4-(3-(6-(5-(benzo[d][1,3]dioxol-5-yl)-3''-fluorobiphenyl-3-yloxy)hexyl)-2-(2-carboxyethyl)phenoxy)butanoic acid
BDBM50317623
NMNJWRKGTYNGSA-UHFFFAOYSA-N
4-{3-[6-(5-benzo[1,3]dioxol-5-yl-3'-fluoro-biphenyl-3-yloxy)-hexyl]-2-(2-carboxy-ethyl)-phenoxy}-butyric acid
Inchi KeyNMNJWRKGTYNGSA-UHFFFAOYSA-N
Inchi IDInChI=1S/C38H39FO8/c39-31-11-5-10-27(21-31)29-20-30(28-14-16-35-36(24-28)47-25-46-35)23-32(22-29)44-18-4-2-1-3-8-26-9-6-12-34(33(26)15-17-38(42)43)45-19-7-13-37(40)41/h5-6,9-12,14,16,20-24H,1-4,7-8,13,15,17-19,25H2,(H,40,41)(H,42,43)
PubChem CID25192471
ChEMBLCHEMBL1094348
IUPHARN/A
BindingDB50317623
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
227071Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352
227070Leukotriene B4 receptor 2Q9NPC1LTB4R2Homo sapiens (Human)358

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