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Ligand

NameCHEMBL3633894
Molecular formulaC17H17NO2S
IUPAC nameS-[2-oxo-2-(1-phenylethylamino)ethyl] benzenecarbothioate
Molecular weight299.388
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.6
SynonymsCBMicro_026747
STK031593
MCULE-9519417368
BDBM50131897
S-{2-oxo-2-[(1-phenylethyl)amino]ethyl} benzenecarbothioate
[ Show all ]
Inchi KeyNYTPJIOIBBIUIK-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H17NO2S/c1-13(14-8-4-2-5-9-14)18-16(19)12-21-17(20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,18,19)
PubChem CID2856847
ChEMBLCHEMBL3633894
IUPHARN/A
BindingDB50131897
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
492141Probable G-protein coupled receptor 139Q6DWJ6GPR139Homo sapiens (Human)353

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