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Ligand

NameCHEMBL57889
Molecular formulaC32H32ClNO7S2
IUPAC namebis(2-thiophen-2-ylethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight642.178
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP6.7
Synonyms5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis[2-(2-thienyl)ethyl] ester
Inchi KeyKSZWYINMRMPIJQ-ZBLYBZFDSA-N
Inchi IDInChI=1S/C32H32ClNO7S2/c1-21(34-20-27(35)23-5-2-6-24(33)19-23)17-22-9-10-28-29(18-22)41-32(40-28,30(36)38-13-11-25-7-3-15-42-25)31(37)39-14-12-26-8-4-16-43-26/h2-10,15-16,18-19,21,27,34-35H,11-14,17,20H2,1H3/t21-,27+/m1/s1
PubChem CID44300533
ChEMBLCHEMBL57889
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
177528Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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