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Ligand

NameCHEMBL298314
Molecular formulaC26H27NO5
IUPAC name(4aS)-4a,9-dihydroxy-4'-methoxy-3-methylspiro[1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-6,2'-1,3-dihydroindene]-7-one
Molecular weight433.504
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.6
Synonyms7-(4''-Methoxy-2''-spiroindanyl)oxymorphone
BDBM50058149
Inchi KeyBIEACPWHNAUZTR-YASAKQTDSA-N
Inchi IDInChI=1S/C26H27NO5/c1-27-9-8-25-20-14-6-7-17(28)21(20)32-23(25)22(29)24(13-26(25,30)19(27)10-14)11-15-4-3-5-18(31-2)16(15)12-24/h3-7,19,23,28,30H,8-13H2,1-2H3/t19?,23?,24?,25?,26-/m1/s1
PubChem CID44293268
ChEMBLCHEMBL298314
IUPHARN/A
BindingDB50058149
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
24365Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
24366Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
24367Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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