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Ligand

NameCHEMBL52159
Molecular formulaC23H30N2O5
IUPAC name2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]propoxy]phenoxy]-N-prop-2-enylacetamide
Molecular weight414.502
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.5
Synonyms[4-[2-[2-Hydroxy-3-(phenoxy)propylamino]propyloxy]phenoxy]-N-(2-propenyl)acetamide
Inchi KeyDJCQXHDEUGXFGL-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30N2O5/c1-3-13-24-23(27)17-30-22-11-9-21(10-12-22)28-15-18(2)25-14-19(26)16-29-20-7-5-4-6-8-20/h3-12,18-19,25-26H,1,13-17H2,2H3,(H,24,27)
PubChem CID15174970
ChEMBLCHEMBL52159
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
61328Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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