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Ligand

NameCHEMBL184989
Molecular formulaC26H32N2O3
IUPAC name2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzaldehyde
Molecular weight420.553
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50160937
2-(2-{4-[1-(2-Ethoxy-ethyl)-1H-indol-3-yl]-piperidin-1-yl}-ethoxy)-benzaldehyde
Inchi KeyJGNJLADRTSHTFC-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32N2O3/c1-2-30-17-16-28-19-24(23-8-4-5-9-25(23)28)21-11-13-27(14-12-21)15-18-31-26-10-6-3-7-22(26)20-29/h3-10,19-21H,2,11-18H2,1H3
PubChem CID44392621
ChEMBLCHEMBL184989
IUPHARN/A
BindingDB50160937
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
150440Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
150439Histamine H3 receptorP58406Hrh3Mus musculus (Mouse)445

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