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Ligand

NameCHEMBL2204444
Molecular formulaC23H25NO2
IUPAC name2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethanone
Molecular weight347.458
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50401092
Inchi KeyIADYAKBUQIPXKK-NRFANRHFSA-N
Inchi IDInChI=1S/C23H25NO2/c1-3-24-16-4-5-21(24)17-23(25)20-12-8-18(9-13-20)6-7-19-10-14-22(26-2)15-11-19/h8-15,21H,3-5,16-17H2,1-2H3/t21-/m0/s1
PubChem CID71450430
ChEMBLCHEMBL2204444
IUPHARN/A
BindingDB50401092
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
128315Metabotropic glutamate receptor 3Q14832GRM3Homo sapiens (Human)879

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