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Ligand

NameCHEMBL2437067
Molecular formulaC26H25N3O5
IUPAC name(E)-N-[(4R,4aR,7R,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(3-nitrophenyl)prop-2-enamide
Molecular weight459.502
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.7
SynonymsN/A
Inchi KeyCTGAOJLPCFKBDX-WBBZJJEJSA-N
Inchi IDInChI=1S/C26H25N3O5/c1-28-12-11-26-18-7-8-19(27-22(31)10-5-15-3-2-4-17(13-15)29(32)33)25(26)34-24-21(30)9-6-16(23(24)26)14-20(18)28/h2-10,13,18-20,25,30H,11-12,14H2,1H3,(H,27,31)/b10-5+/t18-,19+,20+,25-,26-/m0/s1
PubChem CID73346493
ChEMBLCHEMBL2437067
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
50079Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
50081Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
50080Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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