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Ligand

NameCHEMBL458961
Molecular formulaC22H30N2O4
IUPAC name1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(1,2,3,4-tetrahydroquinolin-6-yloxy)propan-2-ol
Molecular weight386.492
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.0
SynonymsN/A
Inchi KeyAPXBKQSWPZDMQL-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H30N2O4/c1-26-21-8-5-16(12-22(21)27-2)9-11-23-14-18(25)15-28-19-6-7-20-17(13-19)4-3-10-24-20/h5-8,12-13,18,23-25H,3-4,9-11,14-15H2,1-2H3
PubChem CID44589139
ChEMBLCHEMBL458961
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
11422Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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