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Ligand

NameCHEMBL365886
Molecular formulaC28H31N3O2
IUPAC name4-[(3-aminophenyl)-[8-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]-N-ethylbenzamide
Molecular weight441.575
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.5
Synonyms4-[(3-Amino-phenyl)-(8-furan-3-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-N-ethyl-benzamide
BDBM50155100
Inchi KeyCRUVNMBAKCMMJA-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31N3O2/c1-2-30-28(32)21-8-6-20(7-9-21)27(22-4-3-5-24(29)14-22)23-15-25-10-11-26(16-23)31(25)17-19-12-13-33-18-19/h3-9,12-14,18,25-26H,2,10-11,15-17,29H2,1H3,(H,30,32)
PubChem CID44395576
ChEMBLCHEMBL365886
IUPHARN/A
BindingDB50155100
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
49135Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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