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Ligand

NameCHEMBL495161
Molecular formulaC25H30N4O2
IUPAC nameN-[2-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide
Molecular weight418.541
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50412122
Inchi KeyAFWLIBPUJKVHTI-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N4O2/c1-19-10-11-22-24(26-19)8-5-9-25(22)31-17-16-28-12-14-29(15-13-28)18-21-6-3-4-7-23(21)27-20(2)30/h3-11H,12-18H2,1-2H3,(H,27,30)
PubChem CID24865541
ChEMBLCHEMBL495161
IUPHARN/A
BindingDB50412122
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
45625-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
45615-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
45605-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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