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Ligand

NameCHEMBL217254
Molecular formulaC23H28N4O
IUPAC name[4-[4-[(3R)-3,4-dimethylpiperazin-1-yl]anilino]-3-methylquinolin-2-yl]methanol
Molecular weight376.504
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50196126
(R)-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]-3-methylquinolin-2-yl}methanol
Inchi KeyCWSVSBNTQJZFGE-MRXNPFEDSA-N
Inchi IDInChI=1S/C23H28N4O/c1-16-14-27(13-12-26(16)3)19-10-8-18(9-11-19)24-23-17(2)22(15-28)25-21-7-5-4-6-20(21)23/h4-11,16,28H,12-15H2,1-3H3,(H,24,25)/t16-/m1/s1
PubChem CID16090601
ChEMBLCHEMBL217254
IUPHARN/A
BindingDB50196126
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
52409Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
52407Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
52408Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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