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Ligand

NameCHEMBL458200
Molecular formulaC29H36N4O2
IUPAC name1-methyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]piperazin-2-one
Molecular weight472.633
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM50413692
SCHEMBL5208879
Inchi KeyAPIPZKSNAUJHEI-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H36N4O2/c1-22-9-10-26-27(30-22)7-4-8-28(26)35-18-17-32-13-11-23(12-14-32)19-24-5-3-6-25(20-24)33-16-15-31(2)29(34)21-33/h3-10,20,23H,11-19,21H2,1-2H3
PubChem CID10238763
ChEMBLCHEMBL458200
IUPHARN/A
BindingDB50413692
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
110135-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
110125-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
110115-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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