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Ligand

NameCHEMBL259645
Molecular formulaC29H33FN2O
IUPAC name2-(2,6-diethylphenyl)-5-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxy-5,6,7,8-tetrahydroquinoline
Molecular weight444.594
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP6.4
SynonymsBDBM50376791
Inchi KeyBITMMNNWKLCYEN-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H33FN2O/c1-4-19-8-6-9-20(5-2)28(19)25-17-27(33-3)29-24(31-25)10-7-11-26(29)32-15-14-21-12-13-23(30)16-22(21)18-32/h6,8-9,12-13,16-17,26H,4-5,7,10-11,14-15,18H2,1-3H3
PubChem CID25192764
ChEMBLCHEMBL259645
IUPHARN/A
BindingDB50376791
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24716C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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