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Ligand

NameCHEMBL120055
Molecular formulaC23H28N4O2
IUPAC name2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
Molecular weight392.503
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.8
Synonyms1-[4-[2-Methylphenyl]piperazin-1-yl]-2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethanone
BDBM50033447
L011210
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-o-tolyl-piperazin-1-yl)-ethanone
Inchi KeyDWSOZYFSYVOVOC-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28N4O2/c1-17-4-2-3-5-22(17)26-10-12-27(13-11-26)23(28)16-29-19-6-7-21-20(14-19)18(8-9-24)15-25-21/h2-7,14-15,25H,8-13,16,24H2,1H3
PubChem CID10385855
ChEMBLCHEMBL120055
IUPHARN/A
BindingDB50033447
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
708465-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
708485-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
708495-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
708505-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
708475-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
70853Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
70851D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
70854Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
70852Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479

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