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Ligand

NameCHEMBL365863
Molecular formulaC29H33N3O2
IUPAC name4-[[3-(aminomethyl)phenyl]-[8-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]-N-ethylbenzamide
Molecular weight455.602
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50155116
4-[(3-Aminomethyl-phenyl)-(8-furan-3-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-N-ethyl-benzamide
Inchi KeyDFULXWMDDNTBGP-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H33N3O2/c1-2-31-29(33)23-8-6-22(7-9-23)28(24-5-3-4-20(14-24)17-30)25-15-26-10-11-27(16-25)32(26)18-21-12-13-34-19-21/h3-9,12-14,19,26-27H,2,10-11,15-18,30H2,1H3,(H,31,33)
PubChem CID44395627
ChEMBLCHEMBL365863
IUPHARN/A
BindingDB50155116
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
58916Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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