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Ligand

NameSMR000000940
Molecular formulaC18H18ClN5OS
IUPAC name1-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(2-chlorophenyl)urea
Molecular weight387.886
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.9
SynonymsMLS000068046
1-(5-Benzylsulfanyl-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-3-(2-chloro-phenyl)-urea
1-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(2-chlorophenyl)urea
AC1LDARI
MLS002538178
[ Show all ]
Inchi KeyAERJPFUBOKHEMQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H18ClN5OS/c1-24-16(11-20-17(25)21-15-10-6-5-9-14(15)19)22-23-18(24)26-12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,20,21,25)
PubChem CID645127
ChEMBLCHEMBL1324691
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
3779Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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