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Ligand

NameCHEMBL168613
Molecular formulaC37H38N4O4+2
IUPAC name2-[4-[4-[3-[1-[4-(1,3-dioxoisoindol-2-yl)butyl]pyridin-1-ium-4-yl]propyl]pyridin-1-ium-1-yl]butyl]isoindole-1,3-dione
Molecular weight602.735
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.4
SynonymsBDBM50074572
4,4'-Trimethylenebis[1-(4-phthalimidylbutyl)pyridinium]
CHEMBL1181373
2-{3-[4-(3-{1-[3-(1,3-dioxo-2,3-dihydro-1H-2-isoindolyl)propyl]-4-pyridiniumyl}propyl)-1-pyridiniumyl]propyl}-1,3-isoindolinedione; dibromide
Inchi KeyDQBFYPYEOZRLHH-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H38N4O4/c42-34-30-12-1-2-13-31(30)35(43)40(34)22-7-5-20-38-24-16-28(17-25-38)10-9-11-29-18-26-39(27-19-29)21-6-8-23-41-36(44)32-14-3-4-15-33(32)37(41)45/h1-4,12-19,24-27H,5-11,20-23H2/q+2
PubChem CID10509354
ChEMBLN/A
IUPHARN/A
BindingDB50074572
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
66117Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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