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Ligand

NameCHEMBL1924050
Molecular formulaC29H38FN2O2+
IUPAC name[(3R)-1-[2-(3-fluorophenyl)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate
Molecular weight465.633
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.6
SynonymsSCHEMBL13330669
Inchi KeyACGBRZCIFNWBLV-NNMXADRKSA-N
Inchi IDInChI=1S/C29H38FN2O2/c1-29(25-10-4-2-5-11-25,31-16-6-3-7-17-31)28(33)34-27-22-32(19-14-24(27)15-20-32)18-13-23-9-8-12-26(30)21-23/h2,4-5,8-12,21,24,27H,3,6-7,13-20,22H2,1H3/q+1/t24?,27-,29-,32?/m0/s1
PubChem CID57400424
ChEMBLCHEMBL1924050
IUPHARN/A
BindingDBN/A
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
1539Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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