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Ligand

NameCHEMBL434542
Molecular formulaC30H36N2O2
IUPAC name4-[(3-acetylphenyl)-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]-N-ethylbenzamide
Molecular weight456.63
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50155103
4-{(3-Acetyl-phenyl)-[8-(3-methyl-but-3-enyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-methyl}-N-ethyl-benzamide
Inchi KeyBNEJMAVUXISIQN-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H36N2O2/c1-5-31-30(34)23-11-9-22(10-12-23)29(25-8-6-7-24(17-25)21(4)33)26-18-27-13-14-28(19-26)32(27)16-15-20(2)3/h6-12,17,27-28H,2,5,13-16,18-19H2,1,3-4H3,(H,31,34)
PubChem CID44395612
ChEMBLCHEMBL434542
IUPHARN/A
BindingDB50155103
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28034Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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