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Ligand

NameMorphine-3-glucuronide
Molecular formulaC23H27NO9
IUPAC name(2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular weight461.467
Hydrogen bond acceptor10
Hydrogen bond donor5
XlogP-3.0
SynonymsC23H27NO9
MORPHINE 3-GLUCURONIDE(MINOR)
20290-09-9
DTXSID80174157
Morphine-3G
[ Show all ]
Inchi KeyWAEXKFONHRHFBZ-ZXDZBKESSA-N
Inchi IDInChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1
PubChem CID5484731
ChEMBLN/A
IUPHARN/A
BindingDB224029
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
531881Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330

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