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Ligand

NameCHEMBL434658
Molecular formulaC24H32N2O3
IUPAC name3-(4-hydroxyphenyl)-N-[2-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]ethyl]propanamide
Molecular weight396.531
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.0
SynonymsN/A
Inchi KeyAEHFDSQYDTZIFK-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H32N2O3/c1-18-17-26(14-12-24(18,2)20-4-3-5-22(28)16-20)15-13-25-23(29)11-8-19-6-9-21(27)10-7-19/h3-7,9-10,16,18,27-28H,8,11-15,17H2,1-2H3,(H,25,29)
PubChem CID44365493
ChEMBLCHEMBL434658
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
3465Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380

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