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Ligand

NameCHEMBL457514
Molecular formulaC24H33N3O2
IUPAC name1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
Molecular weight395.547
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
SynonymsN/A
Inchi KeyAGACSDFOWHKWCY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H33N3O2/c1-25-12-14-26(15-13-25)18-22(28)19-29-23-9-10-24-21(16-23)8-5-11-27(24)17-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,28H,5,8,11-15,17-19H2,1H3
PubChem CID44589185
ChEMBLCHEMBL457514
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
4679Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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