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Ligand

NameCHEMBL2013219
Molecular formulaC26H34N2O3
IUPAC name3,4-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
Molecular weight422.569
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.0
SynonymsSCHEMBL3542360
BDBM50380121
Inchi KeyBKSVQXNMVYSZEC-LVZFUZTISA-N
Inchi IDInChI=1S/C26H34N2O3/c1-20(17-21-9-6-5-7-10-21)19-28(16-14-23-11-8-15-27(23)2)26(29)22-12-13-24(30-3)25(18-22)31-4/h5-7,9-10,12-13,17-18,23H,8,11,14-16,19H2,1-4H3/b20-17+
PubChem CID10093732
ChEMBLCHEMBL2013219
IUPHARN/A
BindingDB50380121
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
26135Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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