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Ligand

NameSMR000062585
Molecular formulaC22H27N5O5S
IUPAC namediethyl 5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
Molecular weight473.548
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP2.1
SynonymsMLS000048846
AC1MH84N
MLS000888263
MLS001074855
CHEMBL1483001
[ Show all ]
Inchi KeyADAJZVOJTVDKEI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27N5O5S/c1-5-31-20(28)17-14(3)18(21(29)32-6-2)24-16(17)13-33-22-26-25-19(27(22)11-12-30-4)15-7-9-23-10-8-15/h7-10,24H,5-6,11-13H2,1-4H3
PubChem CID2997795
ChEMBLCHEMBL1483001
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
2076Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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