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Ligand

NameCHEMBL56963
Molecular formulaC25H30ClNO7
IUPAC name5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-2-pentan-3-yloxycarbonyl-1,3-benzodioxole-2-carboxylic acid
Molecular weight491.965
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.6
Synonyms5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid 2-(1-ethylpropyl) ester
Inchi KeyKNSBTUJYPAGFAM-DEELOZETSA-N
Inchi IDInChI=1S/C25H30ClNO7/c1-4-19(5-2)32-24(31)25(23(29)30)33-21-10-9-16(12-22(21)34-25)11-15(3)27-14-20(28)17-7-6-8-18(26)13-17/h6-10,12-13,15,19-20,27-28H,4-5,11,14H2,1-3H3,(H,29,30)/t15-,20+,25?/m1/s1
PubChem CID44300454
ChEMBLCHEMBL56963
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
173631Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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