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Ligand

NameCHEMBL57091
Molecular formulaC30H40ClNO7
IUPAC namebis(3-methylbutyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight562.1
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.7
Synonyms5-{(2R)-2-[(2R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acid bis-(3-methylbutyl)ester
FHFZLRVQWNWHKK-BWKNWUBXSA-N
5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid diisopentyl ester
Inchi KeyFHFZLRVQWNWHKK-BWKNWUBXSA-N
Inchi IDInChI=1S/C30H40ClNO7/c1-19(2)11-13-36-28(34)30(29(35)37-14-12-20(3)4)38-26-10-9-22(16-27(26)39-30)15-21(5)32-18-25(33)23-7-6-8-24(31)17-23/h6-10,16-17,19-21,25,32-33H,11-15,18H2,1-5H3/t21-,25+/m1/s1
PubChem CID10053575
ChEMBLCHEMBL57091
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
78362Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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