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Ligand

NameCHEMBL256781
Molecular formulaC24H30N2O4S
IUPAC name2-[(4-ethoxyphenyl)methyl]-5-ethylsulfonyl-1-(oxan-4-ylmethyl)benzimidazole
Molecular weight442.574
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50376566
Inchi KeyAGPVLEDUINGMDZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30N2O4S/c1-3-30-20-7-5-18(6-8-20)15-24-25-22-16-21(31(27,28)4-2)9-10-23(22)26(24)17-19-11-13-29-14-12-19/h5-10,16,19H,3-4,11-15,17H2,1-2H3
PubChem CID44449380
ChEMBLCHEMBL256781
IUPHARN/A
BindingDB50376566
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
5107Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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