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Ligand

NameCHEMBL409128
Molecular formulaC29H33ClN2O
IUPAC name5-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinoline
Molecular weight461.046
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.9
SynonymsSCHEMBL13925316
BDBM50376806
Inchi KeyDKDZODIIQJVFAD-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H33ClN2O/c1-4-19-9-6-10-20(5-2)28(19)25-17-27(33-3)29-24(31-25)13-8-14-26(29)32-16-15-22-21(18-32)11-7-12-23(22)30/h6-7,9-12,17,26H,4-5,8,13-16,18H2,1-3H3
PubChem CID25192901
ChEMBLCHEMBL409128
IUPHARN/A
BindingDB50376806
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
62121C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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