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Ligand

NameCHEMBL3342279
Molecular formulaC18H19FN2O2S
IUPAC nameN-(4-fluorophenyl)-6-(oxan-4-ylmethylsulfanyl)pyridine-3-carboxamide
Molecular weight346.42
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM150888
N-(4-Fluorophenyl)-6-(tetrahydro-2H-pyran-4-ylmethylthio)nicotinamide
US8981106, 77
Inchi KeyBRBBPFBOWPYCAY-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19FN2O2S/c19-15-2-4-16(5-3-15)21-18(22)14-1-6-17(20-11-14)24-12-13-7-9-23-10-8-13/h1-6,11,13H,7-10,12H2,(H,21,22)
PubChem CID46896681
ChEMBLCHEMBL3342279
IUPHARN/A
BindingDB150888
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
442874C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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