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Ligand

NameCHEMBL608130
Molecular formulaC18H20ClNO
IUPAC name(2S)-N-benzyl-2-(4-chlorophenyl)-3-methylbutanamide
Molecular weight301.814
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP4.6
Synonyms(2S)-N-benzyl-2-(4-chlorophenyl)-3-methylbutanamide
(S)-N-benzyl-2-(4-chlorophenyl)-3-methylbutanamide
AC1PCJIY
BDBM50305945
Inchi KeyFPSXSRFSUOEGIX-KRWDZBQOSA-N
Inchi IDInChI=1S/C18H20ClNO/c1-13(2)17(15-8-10-16(19)11-9-15)18(21)20-12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,20,21)/t17-/m0/s1
PubChem CID8713297
ChEMBLCHEMBL608130
IUPHARN/A
BindingDB50305945
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
84332Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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