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Ligand

NameCHEMBL183706
Molecular formulaC26H32N2O4
IUPAC name2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
Molecular weight436.552
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.6
Synonyms2-(2-{4-[1-(2-Ethoxy-ethyl)-1H-indol-3-yl]-piperidin-1-yl}-ethoxy)-benzoic acid
BDBM50156867
QSOACFIAXDGTQW-UHFFFAOYSA-N
2-(2-{4-[1-(2-ethoxyethyl)-1H-indol-3-yl]piperidin-1-yl}ethoxy)benzoic acid
SCHEMBL6776305
Inchi KeyQSOACFIAXDGTQW-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32N2O4/c1-2-31-17-16-28-19-23(21-7-3-5-9-24(21)28)20-11-13-27(14-12-20)15-18-32-25-10-6-4-8-22(25)26(29)30/h3-10,19-20H,2,11-18H2,1H3,(H,29,30)
PubChem CID11282005
ChEMBLCHEMBL183706
IUPHARN/A
BindingDB50156867
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
285865Histamine H1 receptorP70174Hrh1Mus musculus (Mouse)488
285866Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
285868Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
285867Histamine H3 receptorP58406Hrh3Mus musculus (Mouse)445

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