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Ligand

NameMLS001008228
Molecular formulaC24H33NO3
IUPAC name[5-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol
Molecular weight383.532
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.5
SynonymsCHEMBL1485464
MolPort-005-006-639
HMS2814M03
SMR000495221
SR-01000163877
[ Show all ]
Inchi KeyAFTCPNXDOWZFCA-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H33NO3/c1-19(2)28-23-10-9-21(13-22(23)16-26)15-25-12-6-11-24(17-25,18-27)14-20-7-4-3-5-8-20/h3-5,7-10,13,19,26-27H,6,11-12,14-18H2,1-2H3
PubChem CID23723804
ChEMBLCHEMBL1485464
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
4450Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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