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Ligand

NameCHEMBL2112969
Molecular formulaC25H31FN4O4
IUPAC name(3R,3aR)-3-[[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methyl]-7,8-dimethoxy-3,3a,4,5-tetrahydro-[1,2]oxazolo[4,3-c]quinoline
Molecular weight470.545
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50024314
Inchi KeyAIWNTZODSQLIEU-RDPSFJRHSA-N
Inchi IDInChI=1S/C25H31FN4O4/c1-31-22-13-19-21(14-23(22)32-2)27-15-20-24(34-28-25(19)20)16-30-9-7-29(8-10-30)11-12-33-18-5-3-17(26)4-6-18/h3-6,13-14,20,24,27H,7-12,15-16H2,1-2H3/t20-,24-/m0/s1
PubChem CID135405894
ChEMBLCHEMBL2112969
IUPHARN/A
BindingDB50024314
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557467Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
557468Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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