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Ligand

NameMLS000714665
Molecular formulaC17H19NO4S2
IUPAC name(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular weight365.462
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.4
Synonyms(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(2-oxolanylmethyl)-2-sulfanylidene-4-thiazolidinone
cid_5758848
SMR000274644
AC1NXS8C
HMS2699B15
[ Show all ]
Inchi KeyCBGQEKXIRAJAAT-OQLLNIDSSA-N
Inchi IDInChI=1S/C17H19NO4S2/c1-2-21-14-8-11(5-6-13(14)19)9-15-16(20)18(17(23)24-15)10-12-4-3-7-22-12/h5-6,8-9,12,19H,2-4,7,10H2,1H3/b15-9+
PubChem CID5758848
ChEMBLCHEMBL1304807
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
467600Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
37855Thyrotropin-releasing hormone receptorP34981TRHRHomo sapiens (Human)398

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