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Ligand

NameCHEMBL332697
Molecular formulaC23H24N4O6
IUPAC name3-[1-[(E)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular weight452.467
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM50105078
1-[1-[3-(2-Nitro-4,5-dimethoxyphenyl)acryloyl]-4-piperidinyl]-1H-benzimidazole-2(3H)-one
1-{1-[3-(4,5-Dimethoxy-2-nitro-phenyl)-acryloyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
Inchi KeyAGJHOJDCPSVSPB-BQYQJAHWSA-N
Inchi IDInChI=1S/C23H24N4O6/c1-32-20-13-15(19(27(30)31)14-21(20)33-2)7-8-22(28)25-11-9-16(10-12-25)26-18-6-4-3-5-17(18)24-23(26)29/h3-8,13-14,16H,9-12H2,1-2H3,(H,24,29)/b8-7+
PubChem CID10895676
ChEMBLCHEMBL332697
IUPHARN/A
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4921Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
4922Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
4920Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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