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Ligand

NameCHEMBL78796
Molecular formulaC26H31NO6
IUPAC name(5R)-5-[[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxymethyl]-3-methylideneoxolan-2-one
Molecular weight453.535
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP0.8
Synonyms17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5alpha-epoxy-6beta-[(tetrahydro-4-methylene-5-oxofuran)-2beta-ylmethoxy]morphinan
BDBM50000795
5-[4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-yloxymethyl]-3-methylenetetrahydro-2-furanone
Inchi KeyAYJLAUNORPKULA-NMPOJTJSSA-N
Inchi IDInChI=1S/C26H31NO6/c1-14-10-17(32-24(14)29)13-31-19-6-7-26(30)20-11-16-4-5-18(28)22-21(16)25(26,23(19)33-22)8-9-27(20)12-15-2-3-15/h4-5,15,17,19-20,23,28,30H,1-3,6-13H2/t17-,19-,20-,23+,25+,26-/m1/s1
PubChem CID15663419
ChEMBLCHEMBL78796
IUPHARN/A
BindingDB50000795
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
17500Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
17501Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
17499Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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