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Ligand

NameCHEMBL536800
Molecular formulaC23H30N4O5S
IUPAC nameN-[4-[2-hydroxy-3-[[1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-yl]amino]propoxy]phenyl]methanesulfonamide
Molecular weight474.576
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP1.8
SynonymsCHEMBL1188606
SCHEMBL8781264
BDBM50015190
N-(4-{2-Hydroxy-3-[2-(4-imidazol-1-yl-phenoxy)-1,1-dimethyl-ethylamino]-propoxy}-phenyl)-methanesulfonamidecompound with 2mol of HCl and 1mol of water
Inchi KeyDFMWOTVQIINEOY-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30N4O5S/c1-23(2,16-32-22-10-6-19(7-11-22)27-13-12-24-17-27)25-14-20(28)15-31-21-8-4-18(5-9-21)26-33(3,29)30/h4-13,17,20,25-26,28H,14-16H2,1-3H3
PubChem CID14664348
ChEMBLN/A
IUPHARN/A
BindingDB50015190
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
58701Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
58700Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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