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Ligand

NameCHEMBL183319
Molecular formulaC21H27NO3S
IUPAC name1-[2-hydroxy-3-methyl-4-(4-pyridin-4-ylsulfanylbutoxy)phenyl]-3-methylbutan-1-one
Molecular weight373.511
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50155701
SCHEMBL4943594
1-{2-Hydroxy-3-methyl-4-[4-(pyridin-4-ylsulfanyl)-butoxy]-phenyl}-3-methyl-butan-1-one
Inchi KeyBBMHENISQZYUSJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27NO3S/c1-15(2)14-19(23)18-6-7-20(16(3)21(18)24)25-12-4-5-13-26-17-8-10-22-11-9-17/h6-11,15,24H,4-5,12-14H2,1-3H3
PubChem CID11187949
ChEMBLCHEMBL183319
IUPHARN/A
BindingDB50155701
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
19615Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872

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