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Ligand

NameCHEMBL243266
Molecular formulaC21H24N4O7
IUPAC name4-[[4-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]phenoxy]methyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
Molecular weight444.444
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP1.6
SynonymsBDBM50221773
rac-4-(4-{(2R)-[2-(3,5-dihydroxyphenyl)-(2S)-hydroxyethylamino]propyl}phenoxymethyl)furoxan-3-carboxamide
4-(4-{2-[2-(3,5-dihydroxy-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxymethyl)-2-oxy-furazan-3-carboxylic acid amide
Inchi KeyATTPETUTYJEEIJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24N4O7/c1-12(23-10-19(28)14-7-15(26)9-16(27)8-14)6-13-2-4-17(5-3-13)31-11-18-20(21(22)29)25(30)32-24-18/h2-5,7-9,12,19,23,26-28H,6,10-11H2,1H3,(H2,22,29)
PubChem CID44428083
ChEMBLCHEMBL243266
IUPHARN/A
BindingDB50221773
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14325Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418
14326Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418

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