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Ligand

NameSMR000151364
Molecular formulaC20H18F2N2O4S
IUPAC name(E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Molecular weight420.431
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.0
SynonymsAKOS000961528
HMS2423M06
AB00525985-03
MLS000536495
AC1O1CKM
[ Show all ]
Inchi KeyAGUPBTBLTOQLMX-MDWZMJQESA-N
Inchi IDInChI=1S/C20H18F2N2O4S/c1-26-16-9-12(10-17(27-2)18(16)28-3)8-13(11-23)19(25)24-14-4-6-15(7-5-14)29-20(21)22/h4-10,20H,1-3H3,(H,24,25)/b13-8+
PubChem CID6068762
ChEMBLCHEMBL1508862
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
5225Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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