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Ligand

NameCHEMBL213817
Molecular formulaC27H27FN4O
IUPAC nameN-[[3-(diethylaminomethyl)quinolin-8-yl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide
Molecular weight442.538
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50191754
N-(3-diethylaminomethyl-quinolin-8-ylmethyl)-6-(4-fluoro-phenyl)-nicotinamide
Inchi KeyAJBOEHICNNVRON-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27FN4O/c1-3-32(4-2)18-19-14-21-6-5-7-22(26(21)30-15-19)16-31-27(33)23-10-13-25(29-17-23)20-8-11-24(28)12-9-20/h5-15,17H,3-4,16,18H2,1-2H3,(H,31,33)
PubChem CID44416627
ChEMBLCHEMBL213817
IUPHARN/A
BindingDB50191754
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
67545-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
6753Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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