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Ligand

NameCHEMBL432710
Molecular formulaC28H36ClNO7
IUPAC namedibutyl 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight534.046
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.8
Synonyms5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid dibutyl ester
Inchi KeyAAEIZUDSMGMJJF-XXBNENTESA-N
Inchi IDInChI=1S/C28H36ClNO7/c1-4-6-13-34-26(32)28(27(33)35-14-7-5-2)36-24-12-11-20(16-25(24)37-28)15-19(3)30-18-23(31)21-9-8-10-22(29)17-21/h8-12,16-17,19,23,30-31H,4-7,13-15,18H2,1-3H3/t19-,23+/m1/s1
PubChem CID44300348
ChEMBLCHEMBL432710
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
138Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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