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Ligand

NameCHEMBL595715
Molecular formulaC15H17ClN2OS
IUPAC name(2S)-2-(4-chlorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
Molecular weight308.824
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.5
Synonyms(2S)-2-(4-chlorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
(S)-2-(4-chlorophenyl)-3-methyl-N-(4-methylthiazol-2-yl)butanamide
AC1PKTEA
BDBM50305969
ZINC7968945
Inchi KeyKOXXJBZZVATNHN-ZDUSSCGKSA-N
Inchi IDInChI=1S/C15H17ClN2OS/c1-9(2)13(11-4-6-12(16)7-5-11)14(19)18-15-17-10(3)8-20-15/h4-9,13H,1-3H3,(H,17,18,19)/t13-/m0/s1
PubChem CID9095896
ChEMBLCHEMBL595715
IUPHARN/A
BindingDB50305969
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
174510Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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