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Ligand

NameCHEMBL11311
Molecular formulaC21H27NO2
IUPAC name1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]pyrrolidine
Molecular weight325.452
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.6
SynonymsCHEMBL1178012
1-[2-(4-Methoxy-3-phenethyloxy-phenyl)-ethyl]-pyrrolidine; compound with oxalic acid
BDBM50074855
1-[3-(Phenethyloxy)-4-methoxyphenethyl]pyrrolidine
Inchi KeyAFGQADKELTYBPU-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27NO2/c1-23-20-10-9-19(11-15-22-13-5-6-14-22)17-21(20)24-16-12-18-7-3-2-4-8-18/h2-4,7-10,17H,5-6,11-16H2,1H3
PubChem CID10496297
ChEMBLN/A
IUPHARN/A
BindingDB50074855
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
4143D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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