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Ligand

NameCHEMBL542786
Molecular formulaC20H27NO2
IUPAC nameN-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]propan-1-amine
Molecular weight313.441
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.5
SynonymsCHEMBL1191655
BDBM50074857
NE-098
[2-(4-Methoxy-3-phenethyloxy-phenyl)-ethyl]-propyl-amine; hydrochloride
Inchi KeyAEQMNSOSQSZZIB-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H27NO2/c1-3-13-21-14-11-18-9-10-19(22-2)20(16-18)23-15-12-17-7-5-4-6-8-17/h4-10,16,21H,3,11-15H2,1-2H3
PubChem CID10710332
ChEMBLN/A
IUPHARN/A
BindingDB50074857
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
3758D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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