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Ligand

NameTHEBAINE
Molecular formulaC19H21NO3
IUPAC name(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Molecular weight311.381
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.2
Synonyms(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
4,5alpha-Epoxy-3,6-dimethoxy-17-methyl-6,8-morphinadien
EINECS 204-084-1
NCGC00247709-01
Thebaine, European Pharmacopoeia (EP) Reference Standard
[ Show all ]
Inchi KeyFQXXSQDCDRQNQE-VMDGZTHMSA-N
Inchi IDInChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1
PubChem CID5324289
ChEMBLCHEMBL403893
IUPHARN/A
BindingDB224032
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
524002Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330
85187Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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