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Ligand

NameCHEMBL1921928
Molecular formulaC29H41N2O2S+
IUPAC name[(3R)-1-(4-phenylbutyl)-1-azoniabicyclo[2.2.2]octan-3-yl] (2R)-2-piperidin-1-yl-2-thiophen-2-ylpropanoate
Molecular weight481.719
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.9
SynonymsBDBM50419530
Inchi KeyABIVXWKXMJCZMZ-LQXXZEARSA-N
Inchi IDInChI=1S/C29H41N2O2S/c1-29(27-14-10-22-34-27,30-17-7-3-8-18-30)28(32)33-26-23-31(20-15-25(26)16-21-31)19-9-6-13-24-11-4-2-5-12-24/h2,4-5,10-12,14,22,25-26H,3,6-9,13,15-21,23H2,1H3/q+1/t25?,26-,29-,31?/m0/s1
PubChem CID57392462
ChEMBLCHEMBL1921928
IUPHARN/A
BindingDB50419530
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
894Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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