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Ligand

NameCHEMBL221841
Molecular formulaC28H33N3O2
IUPAC nameN-[4-[[(1-butanoylpiperidin-4-yl)amino]methyl]naphthalen-1-yl]-2-methylbenzamide
Molecular weight443.591
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50203902
N-(4-{[(1-butyrylpiperidin-4-yl)amino]methyl}-1-naphthyl)-2-methylbenzamide
Inchi KeyICGHIKITHSJYDX-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H33N3O2/c1-3-8-27(32)31-17-15-22(16-18-31)29-19-21-13-14-26(25-12-7-6-11-24(21)25)30-28(33)23-10-5-4-9-20(23)2/h4-7,9-14,22,29H,3,8,15-19H2,1-2H3,(H,30,33)
PubChem CID16105765
ChEMBLCHEMBL221841
IUPHARN/A
BindingDB50203902
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
129749C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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