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Ligand

NameCHEMBL51886
Molecular formulaC25H30N2O5S
IUPAC name2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-(4H-thiopyran-2-ylmethyl)acetamide
Molecular weight470.584
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.0
SynonymsN/A
Inchi KeyAIODWABNIXPQKD-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N2O5S/c28-20(18-31-21-6-2-1-3-7-21)16-26-13-14-30-22-9-11-23(12-10-22)32-19-25(29)27-17-24-8-4-5-15-33-24/h1-3,5-12,15,20,26,28H,4,13-14,16-19H2,(H,27,29)
PubChem CID44294591
ChEMBLCHEMBL51886
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
6390Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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