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Ligand

NameCHEMBL58633
Molecular formulaC24H28ClNO7
IUPAC namediethyl 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight477.938
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.1
Synonyms5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid diethyl ester
Inchi KeyJYHIJPMNTUZEAY-BEFAXECRSA-N
Inchi IDInChI=1S/C24H28ClNO7/c1-4-30-22(28)24(23(29)31-5-2)32-20-10-9-16(12-21(20)33-24)11-15(3)26-14-19(27)17-7-6-8-18(25)13-17/h6-10,12-13,15,19,26-27H,4-5,11,14H2,1-3H3/t15-,19+/m1/s1
PubChem CID15223306
ChEMBLCHEMBL58633
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
163021Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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