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Ligand

NameCHEMBL58625
Molecular formulaC27H32ClNO7
IUPAC name5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-2-(cyclohexylmethoxycarbonyl)-1,3-benzodioxole-2-carboxylic acid
Molecular weight518.003
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.1
Synonyms5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid 2-(cyclohexylmethyl) ester
Inchi KeyKWYXSBDYNQNHBB-VZUMSWISSA-N
Inchi IDInChI=1S/C27H32ClNO7/c1-17(29-15-22(30)20-8-5-9-21(28)14-20)12-19-10-11-23-24(13-19)36-27(35-23,25(31)32)26(33)34-16-18-6-3-2-4-7-18/h5,8-11,13-14,17-18,22,29-30H,2-4,6-7,12,15-16H2,1H3,(H,31,32)/t17-,22+,27?/m1/s1
PubChem CID44300808
ChEMBLCHEMBL58625
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
180278Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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