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Ligand

NameCHEMBL417890
Molecular formulaC25H25N3O4
IUPAC name3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)ethyl]-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
Molecular weight431.492
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50087500
(Cis)3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1H-benzo[4,5]furo[3,2-d]pyrimidine-2,4-dione
Inchi KeyBGHNZJFYSHXJFO-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25N3O4/c1-31-20-8-4-6-16-17(20)10-9-15-13-27(14-19(15)16)11-12-28-24(29)23-22(26-25(28)30)18-5-2-3-7-21(18)32-23/h2-8,15,19H,9-14H2,1H3,(H,26,30)
PubChem CID10502807
ChEMBLCHEMBL417890
IUPHARN/A
BindingDB50087500
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
23014Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
23011Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
23013Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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