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Ligand

NameCHEMBL594746
Molecular formulaC16H16ClFN2O
IUPAC name(2S)-2-(4-chlorophenyl)-N-(6-fluoropyridin-2-yl)-3-methylbutanamide
Molecular weight306.765
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50305950
(S)-2-(4-chlorophenyl)-N-(6-fluoropyridin-2-yl)-3-methylbutanamide
Inchi KeyBMUOJMSJMKSDQT-HNNXBMFYSA-N
Inchi IDInChI=1S/C16H16ClFN2O/c1-10(2)15(11-6-8-12(17)9-7-11)16(21)20-14-5-3-4-13(18)19-14/h3-10,15H,1-2H3,(H,19,20,21)/t15-/m0/s1
PubChem CID46226144
ChEMBLCHEMBL594746
IUPHARN/A
BindingDB50305950
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
27782Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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