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Ligand

NameCHEMBL221413
Molecular formulaC26H31FN2O4
IUPAC name2-[2-[4-[1-(2-ethoxyethyl)-6-fluoroindol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
Molecular weight454.542
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.7
SynonymsBDBM50156857
SCHEMBL6781750
2-(2-(4-(1-(2-ethoxyethyl)-6-fluoro-1H-indol-3-yl)piperidin-1-yl)ethoxy)benzoic acid
Inchi KeyBVRIYQUZSCWOSG-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31FN2O4/c1-2-32-15-14-29-18-23(21-8-7-20(27)17-24(21)29)19-9-11-28(12-10-19)13-16-33-25-6-4-3-5-22(25)26(30)31/h3-8,17-19H,2,9-16H2,1H3,(H,30,31)
PubChem CID11293983
ChEMBLCHEMBL221413
IUPHARN/A
BindingDB50156857
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
33992Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
33991Histamine H2 receptorP25021HRH2Homo sapiens (Human)359

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