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Ligand

NameCHEMBL247949
Molecular formulaC21H27N2O2+
IUPAC name(4-benzamidophenyl)methyl-dimethyl-(oxan-4-yl)azanium
Molecular weight339.459
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50216441
N-(4-benzamidobenzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium
SCHEMBL3076805
Inchi KeyAFJUSMKOHKKYDO-UHFFFAOYSA-O
Inchi IDInChI=1S/C21H26N2O2/c1-23(2,20-12-14-25-15-13-20)16-17-8-10-19(11-9-17)22-21(24)18-6-4-3-5-7-18/h3-11,20H,12-16H2,1-2H3/p+1
PubChem CID25267738
ChEMBLCHEMBL247949
IUPHARN/A
BindingDB50216441
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
4214C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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