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Ligand

NameMLS000766525
Molecular formulaC24H25NO4S
IUPAC name(2R,4R)-4-(1-benzothiophen-3-yl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
Molecular weight423.527
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.7
SynonymsBRD-K79852721-001-01-1
CHEMBL1506880
SMR000441979
BRD-K79852721-001-02-9
HMS2206K20
Inchi KeyAEWMPIMTTHDBJJ-GAJHUEQPSA-N
Inchi IDInChI=1S/C24H25NO4S/c26-12-6-7-13-28-23-15-17(20-16-30-22-11-5-4-10-19(20)22)14-21(29-23)24(27)25-18-8-2-1-3-9-18/h1-5,8-11,14,16-17,23,26H,6-7,12-13,15H2,(H,25,27)/t17-,23+/m0/s1
PubChem CID16197117
ChEMBLCHEMBL1506880
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3915Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
3916Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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