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Ligand

NameCHEMBL2112975
Molecular formulaC27H32N4O3
IUPAC nameethyl (3R,3aR)-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-[1,2]oxazolo[4,3-c]quinoline-5-carboxylate
Molecular weight460.578
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50024309
Inchi KeyCHKGJSUYXRACOM-BSNUYDGMSA-N
Inchi IDInChI=1S/C27H32N4O3/c1-2-33-27(32)31-19-23-25(34-28-26(23)22-12-6-7-13-24(22)31)20-30-17-15-29(16-18-30)14-8-11-21-9-4-3-5-10-21/h3-13,23,25H,2,14-20H2,1H3/b11-8+/t23-,25-/m0/s1
PubChem CID11385652
ChEMBLCHEMBL2112975
IUPHARN/A
BindingDB50024309
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
42049Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
42048Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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