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Ligand

NameCHEMBL656
Molecular formulaC18H21NO4
IUPAC name(4R,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular weight315.369
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.2
SynonymsSCHEMBL1994014
BDBM50170965
17-hydroxy-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one
Inchi KeyBRUQQQPBMZOVGD-FPZPCWEFSA-N
Inchi IDInChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18?/m1/s1
PubChem CID9904960
ChEMBLN/A
IUPHARN/A
BindingDB50170965
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
31358Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
31356Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
31357Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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