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Ligand

NameCHEMBL3287719
Molecular formulaC23H28O7
IUPAC name3-[4-(4-butanoyl-3-hydroxy-2-methylphenoxy)butoxy]-4-methoxybenzoic acid
Molecular weight416.47
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50017265
SCHEMBL17176263
Inchi KeyCYOPXIQIQFTMBB-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28O7/c1-4-7-18(24)17-9-11-19(15(2)22(17)25)29-12-5-6-13-30-21-14-16(23(26)27)8-10-20(21)28-3/h8-11,14,25H,4-7,12-13H2,1-3H3,(H,26,27)
PubChem CID90643884
ChEMBLCHEMBL3287719
IUPHARN/A
BindingDB50017265
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
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GLASS IDNameUniProtGeneSpeciesLength
53755Metabotropic glutamate receptor 2P31421Grm2Rattus norvegicus (Rat)872
558939Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
53756Metabotropic glutamate receptor 3P31422Grm3Rattus norvegicus (Rat)879

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