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Ligand

NameEMETINE
Molecular formulaC29H40N2O4
IUPAC name(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
Molecular weight480.649
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
SynonymsEmetin
Cephaeline methyl ether
Methyl cephaeline
483-18-1
6',7',10,11-Tetramethoxyemetan
[ Show all ]
Inchi KeyAUVVAXYIELKVAI-CKBKHPSWSA-N
Inchi IDInChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1
PubChem CID10219
ChEMBLCHEMBL50588
IUPHARN/A
BindingDBN/A
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442232Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
15010Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
15013Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
15012Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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