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Ligand

Namecodeine
Molecular formulaC18H21NO3
IUPAC name(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Molecular weight299.37
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.1
SynonymsCodeine solution, analytical standard, for drug analysis, 1.0 mg/mL in methanol
FT-0665143
(5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol
Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5-alpha,6-alpha)-
10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol(codeine phosphate)
[ Show all ]
Inchi KeyOROGSEYTTFOCAN-DNJOTXNNSA-N
Inchi IDInChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
PubChem CID5284371
ChEMBLCHEMBL485
IUPHAR1673
BindingDB50019351, 50105098
DrugBankDB00318

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 5
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GLASS IDNameUniProtGeneSpeciesLength
248712Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
248711Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
528648Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330
248710Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
451507Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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