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Ligand

NameSMR000079324
Molecular formulaC18H18N4O4S2
IUPAC nameethyl 4,5-dimethyl-2-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
Molecular weight418.486
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.6
Synonymsethyl 4,5-dimethyl-2-[({[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]-3-thiophenecarboxylate
AC1M3ZL3
MLS000051284
MLS001074283
CHEMBL1568463
[ Show all ]
Inchi KeyAFMHQXUVDMAVHG-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H18N4O4S2/c1-4-25-17(24)14-10(2)11(3)28-16(14)20-13(23)9-27-18-22-21-15(26-18)12-6-5-7-19-8-12/h5-8H,4,9H2,1-3H3,(H,20,23)
PubChem CID2222016
ChEMBLCHEMBL1568463
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
4277Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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