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Ligand

NameCHEMBL3922202
Molecular formulaC27H34N2O6
IUPAC name1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2-hydroxypropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
Molecular weight482.577
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.3
SynonymsBDBM50200704
Inchi KeyBYLFTEJATWWSIC-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34N2O6/c1-18(30)16-28(19(2)21-5-7-23-22(15-21)10-12-34-23)17-20-4-6-24(25(14-20)33-3)35-13-11-29-26(31)8-9-27(29)32/h4-7,14-15,18-19,30H,8-13,16-17H2,1-3H3
PubChem CID134140355
ChEMBLCHEMBL3922202
IUPHARN/A
BindingDB50200704
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
548304C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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