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Ligand

NameCHEMBL165350
Molecular formulaC22H20BrN3O2
IUPAC name7-bromo-3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
Molecular weight438.325
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.2
SynonymsBDBM50403740
2-Methyl-3-[2-(1,2,3,4-tetrahydrobenzofuro[3,2-c]pyridine-2-yl)ethyl]-7-bromo-4H-pyrido[1,2-a]pyrimidine-4-one
Inchi KeyBRKWIMBSEICBCU-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H20BrN3O2/c1-14-16(22(27)26-12-15(23)6-7-21(26)24-14)8-10-25-11-9-20-18(13-25)17-4-2-3-5-19(17)28-20/h2-7,12H,8-11,13H2,1H3
PubChem CID44377200
ChEMBLCHEMBL165350
IUPHARN/A
BindingDB50403740
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
31086Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
31087Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
31084Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
31085Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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