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Ligand

NameCHEMBL3947168
Molecular formulaC25H30N2O5
IUPAC name1-[2-[4-[[[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-methylamino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
Molecular weight438.524
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.5
SynonymsBDBM50200695
Inchi KeyBSNWZBYWVSWGSR-QGZVFWFLSA-N
Inchi IDInChI=1S/C25H30N2O5/c1-17(19-5-7-21-20(15-19)10-12-31-21)26(2)16-18-4-6-22(23(14-18)30-3)32-13-11-27-24(28)8-9-25(27)29/h4-7,14-15,17H,8-13,16H2,1-3H3/t17-/m1/s1
PubChem CID134147361
ChEMBLCHEMBL3947168
IUPHARN/A
BindingDB50200695
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
548250C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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