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Ligand

NameCHEMBL291305
Molecular formulaC26H32N2O4
IUPAC name2-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one
Molecular weight436.552
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.5
Synonyms6,7-Dimethoxy-2-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-3,4-dihydro-2H-isoquinolin-1-one
BDBM50100232
Inchi KeyAVJFJYZQNQJPAE-PGRDOPGGSA-N
Inchi IDInChI=1S/C26H32N2O4/c1-30-23-6-4-5-19-20(23)8-7-18-15-27(16-22(18)19)11-12-28-10-9-17-13-24(31-2)25(32-3)14-21(17)26(28)29/h4-6,13-14,18,22H,7-12,15-16H2,1-3H3/t18-,22+/m0/s1
PubChem CID10606659
ChEMBLCHEMBL291305
IUPHARN/A
BindingDB50100232
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
15340Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
15341Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
15339Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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