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Ligand

NameCHEMBL316868
Molecular formulaC20H24N4O4S
IUPAC nameN-[4-[1-hydroxy-2-[2-(4-imidazol-1-ylphenoxy)ethylamino]ethyl]phenyl]methanesulfonamide
Molecular weight416.496
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP1.0
SynonymsBDBM50010844
N-[4-(1-Hydroxy-2-{2-[4-(3H-imidazol-1-yl)-phenoxy]-ethylamino}-ethyl)-phenyl]-methanesulfonamide
2-[2-[4-(1H-Imidazol-1-yl)phenoxy]ethylamino]-1-[4-(methylsulfonylamino)phenyl]ethanol
SCHEMBL8781061
Inchi KeyDBTRNVNGJVUGQX-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24N4O4S/c1-29(26,27)23-17-4-2-16(3-5-17)20(25)14-21-11-13-28-19-8-6-18(7-9-19)24-12-10-22-15-24/h2-10,12,15,20-21,23,25H,11,13-14H2,1H3
PubChem CID14739908
ChEMBLCHEMBL316868
IUPHARN/A
BindingDB50010844
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
56001Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
56000Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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