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Ligand

NameCHEMBL374218
Molecular formulaC27H28N2O4
IUPAC name2-[2-[4-[1-(furan-2-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
Molecular weight444.531
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.2
SynonymsBDBM50156865
SCHEMBL5344015
2-(2-(4-(1-(furan-2-ylmethyl)-1H-indol-3-yl)piperidin-1-yl)ethoxy)benzoic acid
Inchi KeyBLFHOBLUEABFEX-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N2O4/c30-27(31)23-8-2-4-10-26(23)33-17-15-28-13-11-20(12-14-28)24-19-29(18-21-6-5-16-32-21)25-9-3-1-7-22(24)25/h1-10,16,19-20H,11-15,17-18H2,(H,30,31)
PubChem CID10138404
ChEMBLCHEMBL374218
IUPHARN/A
BindingDB50156865
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
26487Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
26488Histamine H2 receptorP25021HRH2Homo sapiens (Human)359

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