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Ligand

NameCHEMBL594745
Molecular formulaC16H17ClN2O
IUPAC name(2S)-2-(4-chlorophenyl)-3-methyl-N-pyridin-2-ylbutanamide
Molecular weight288.775
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.9
Synonyms(S)-2-(4-chlorophenyl)-3-methyl-N-(pyridin-2-yl)butanamide
BDBM50305949
Inchi KeyCJFOXMFRJCLYKE-HNNXBMFYSA-N
Inchi IDInChI=1S/C16H17ClN2O/c1-11(2)15(12-6-8-13(17)9-7-12)16(20)19-14-5-3-4-10-18-14/h3-11,15H,1-2H3,(H,18,19,20)/t15-/m0/s1
PubChem CID46226143
ChEMBLCHEMBL594745
IUPHARN/A
BindingDB50305949
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
43305Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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