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Ligand

NameCHEMBL337503
Molecular formulaC30H31N2O5S+
IUPAC nameethyl 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-6-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenylpyridin-1-ium-3-carboxylate
Molecular weight531.647
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.4
Synonyms1-Methyl-2-ethyl-4-[2-(1,3-dihydro-1,3-dioxo-2H-isoindole-2-yl)ethyl]-3-[(ethylthio)carbonyl]-5-(ethoxycarbonyl)-6-phenylpyridinium
BDBM50081670
4-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-3-ethoxycarbonyl-6-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridinium; iodide
CHEMBL1184182
Inchi KeyALFKNYIWXLVKFC-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H31N2O5S/c1-5-23-24(30(36)38-7-3)22(17-18-32-27(33)20-15-11-12-16-21(20)28(32)34)25(29(35)37-6-2)26(31(23)4)19-13-9-8-10-14-19/h8-16H,5-7,17-18H2,1-4H3/q+1
PubChem CID10722997
ChEMBLN/A
IUPHARN/A
BindingDB50081670
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8223Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
8222Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
8224Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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