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Ligand

NameCHEMBL144128
Molecular formulaC28H38N6O2
IUPAC name2-[5-[2-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-1H-indol-3-yl]ethanamine
Molecular weight490.652
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM50054979
5,5'-[(Piperazine-1,4-diyl)bis(ethyleneoxy)]bis[1H-indole-3-(ethanamine)]
2-{5-[2-(4-{2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-ethyl}-piperazin-1-yl)-ethoxy]-1H-indol-3-yl}-ethylamine
Inchi KeyAIESARVMTCGTRZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H38N6O2/c29-7-5-21-19-31-27-3-1-23(17-25(21)27)35-15-13-33-9-11-34(12-10-33)14-16-36-24-2-4-28-26(18-24)22(6-8-30)20-32-28/h1-4,17-20,31-32H,5-16,29-30H2
PubChem CID10791244
ChEMBLCHEMBL144128
IUPHARN/A
BindingDB50054979
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
61435-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
61425-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
61415-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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