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Ligand

NameCHEMBL261594
Molecular formulaC31H36N2O3
IUPAC namemethyl 2-[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-3,4-dihydro-1H-isoquinoline-8-carboxylate
Molecular weight484.64
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.1
SynonymsBDBM50376804
Inchi KeyAFRYVACYSKMULR-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H36N2O3/c1-5-20-10-7-11-21(6-2)29(20)26-18-28(35-3)30-25(32-26)14-9-15-27(30)33-17-16-22-12-8-13-23(24(22)19-33)31(34)36-4/h7-8,10-13,18,27H,5-6,9,14-17,19H2,1-4H3
PubChem CID25192638
ChEMBLCHEMBL261594
IUPHARN/A
BindingDB50376804
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
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GLASS IDNameUniProtGeneSpeciesLength
4424C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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