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Ligand

NameCHEMBL49650
Molecular formulaC21H27NO5
IUPAC namemethyl 2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]phenoxy]acetate
Molecular weight373.449
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.1
SynonymsSCHEMBL9684241
[4-[2-(2-Hydroxy-3-phenoxypropylamino)propyl]phenoxy]acetic acid methyl ester
Inchi KeyKAVTURIWLISQMG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27NO5/c1-16(22-13-18(23)14-26-19-6-4-3-5-7-19)12-17-8-10-20(11-9-17)27-15-21(24)25-2/h3-11,16,18,22-23H,12-15H2,1-2H3
PubChem CID15034340
ChEMBLCHEMBL49650
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
164723Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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