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Ligand

NameCHEMBL169683
Molecular formulaC29H36N2O6
IUPAC name7-[3-[3-methoxy-2-propyl-4-(1H-pyrazol-5-yl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid
Molecular weight508.615
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.5
SynonymsSCHEMBL9372980
AESKNIDTRUWFAG-UHFFFAOYSA-N
BDBM50033758
L005666
3,4-Dihydro-7-[3-[3-methoxy-2-propyl-4-(1H-pyrazol-3-yl)phenoxy]propoxy]-8-propyl-2H-1-benzopyran-2-carboxylic acid
[ Show all ]
Inchi KeyAESKNIDTRUWFAG-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H36N2O6/c1-4-7-21-24(12-9-19-10-13-26(29(32)33)37-27(19)21)35-17-6-18-36-25-14-11-20(23-15-16-30-31-23)28(34-3)22(25)8-5-2/h9,11-12,14-16,26H,4-8,10,13,17-18H2,1-3H3,(H,30,31)(H,32,33)
PubChem CID9849151
ChEMBLCHEMBL169683
IUPHARN/A
BindingDB50033758
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
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GLASS IDNameUniProtGeneSpeciesLength
3818Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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