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Ligand

NameMLS003589962
Molecular formulaC16H19ClN2O2
IUPAC name(4S,6R)-4-(4-chlorophenyl)-6-(2-methylpropyl)-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one
Molecular weight306.79
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.5
SynonymsSMR002250096
CHEMBL2142485
Inchi KeyADSHQUMBLVBQTC-DOMZBBRYSA-N
Inchi IDInChI=1S/C16H19ClN2O2/c1-9(2)7-12-8-13-14(16(20)19-18-13)15(21-12)10-3-5-11(17)6-4-10/h3-6,9,12,15H,7-8H2,1-2H3,(H2,18,19,20)/t12-,15+/m1/s1
PubChem CID53300624
ChEMBLCHEMBL2142485
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
3029Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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