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Ligand

NameCHEMBL3919580
Molecular formulaC26H33F3N4O2
IUPAC nameN-[3-[[4-(hexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular weight490.571
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM243589
US9428456, 2.078
Inchi KeyCNPMZHNGALFSOM-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H33F3N4O2/c1-2-3-4-5-14-30-24(34)20-12-15-33(16-13-20)18-19-8-6-9-21(17-19)31-25(35)22-10-7-11-23(32-22)26(27,28)29/h6-11,17,20H,2-5,12-16,18H2,1H3,(H,30,34)(H,31,35)
PubChem CID129626005
ChEMBLCHEMBL3919580
IUPHARN/A
BindingDB243589
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
534107Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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