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Ligand

NameCHEMBL473106
Molecular formulaC17H18N2O2S2
IUPAC name3-ethyl-4-[1-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-ylidene]-2-sulfanylidene-1,3-thiazolidin-5-one
Molecular weight346.463
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.4
SynonymsHMS2174A07
BDBM50247213
MolPort-004-000-989
cid_2369069
Z56821874
[ Show all ]
Inchi KeyAQWLITYTSYRLNQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H18N2O2S2/c1-4-18-15(16(20)23-17(18)22)13-8-11(2)19(12(3)9-13)10-14-6-5-7-21-14/h5-9H,4,10H2,1-3H3
PubChem CID2369069
ChEMBLCHEMBL473106
IUPHARN/A
BindingDB50247213
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: 4
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GLASS IDNameUniProtGeneSpeciesLength
12153Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
12150Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
12152Oxytocin receptorP30559OXTRHomo sapiens (Human)389
12151Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418

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