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Ligand

NameCHEMBL61084
Molecular formulaC36H36ClNO7
IUPAC namebis(2-phenylethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight630.134
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP7.2
Synonyms5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid diphenethyl ester
Inchi KeyFOOAGQZSUKCRQH-NJHZRGNWSA-N
Inchi IDInChI=1S/C36H36ClNO7/c1-25(38-24-31(39)29-13-8-14-30(37)23-29)21-28-15-16-32-33(22-28)45-36(44-32,34(40)42-19-17-26-9-4-2-5-10-26)35(41)43-20-18-27-11-6-3-7-12-27/h2-16,22-23,25,31,38-39H,17-21,24H2,1H3/t25-,31+/m1/s1
PubChem CID44300331
ChEMBLCHEMBL61084
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
83445Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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