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Ligand

NameCHEMBL1921911
Molecular formulaC31H43N2O3+
IUPAC name[(3R)-1-[2-(2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate
Molecular weight491.696
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM50419501
Inchi KeyAIMRQTXCPBQWFD-FYQWWBFWSA-N
Inchi IDInChI=1S/C31H43N2O3/c1-31(27-8-4-2-5-9-27,32-16-6-3-7-17-32)30(34)36-29-23-33(19-13-25(29)14-20-33)18-12-24-10-11-28-26(22-24)15-21-35-28/h2,4-5,8-11,22,25-26,28-29H,3,6-7,12-21,23H2,1H3/q+1/t25?,26?,28?,29-,31-,33?/m0/s1
PubChem CID57395952
ChEMBLCHEMBL1921911
IUPHARN/A
BindingDB50419501
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
6354Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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