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Ligand

NameCHEMBL171776
Molecular formulaC34H32N4O4+2
IUPAC name2-[3-[4-[2-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]pyridin-1-ium-4-yl]ethyl]pyridin-1-ium-1-yl]propyl]isoindole-1,3-dione
Molecular weight560.654
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.2
Synonyms4,4'-Ethylenebis[1-(3-phthalimidylpropyl)pyridinium]
CHEMBL1181457
2-{4-[4-(2-{1-[4-(1,3-dioxo-2,3-dihydro-1H-2-isoindolyl)butyl]-4-pyridiniumyl}ethyl)-1-pyridiniumyl]butyl}-1,3-isoindolinedione; dibromide
BDBM50074553
Inchi KeyKTNJIBZFBNASRS-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H32N4O4/c39-31-27-7-1-2-8-28(27)32(40)37(31)19-5-17-35-21-13-25(14-22-35)11-12-26-15-23-36(24-16-26)18-6-20-38-33(41)29-9-3-4-10-30(29)34(38)42/h1-4,7-10,13-16,21-24H,5-6,11-12,17-20H2/q+2
PubChem CID10771150
ChEMBLN/A
IUPHARN/A
BindingDB50074553
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
177874Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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