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Ligand

NameCHEMBL223025
Molecular formulaC25H30N2O4
IUPAC name2-methoxy-5-[[4-[1-(2-methoxyethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid
Molecular weight422.525
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.1
SynonymsSCHEMBL4051105
2-methoxy-5-{4-[1-(2-methoxyethyl)-1H-indol-3-yl]piperidin-1-ylmethyl}benzoic acid
YNSYFJYJHVDOEP-UHFFFAOYSA-N
2-methoxy-5-{4-[1-(2-methoxyethyl)-1H-indol-3-yl]piperidin-1-ylmethyl}-benzoic acid
BDBM50156896
Inchi KeyYNSYFJYJHVDOEP-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N2O4/c1-30-14-13-27-17-22(20-5-3-4-6-23(20)27)19-9-11-26(12-10-19)16-18-7-8-24(31-2)21(15-18)25(28)29/h3-8,15,17,19H,9-14,16H2,1-2H3,(H,28,29)
PubChem CID9979651
ChEMBLCHEMBL223025
IUPHARN/A
BindingDB50156896
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
414872Histamine H1 receptorP70174Hrh1Mus musculus (Mouse)488
414873Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
414871Histamine H2 receptorP25021HRH2Homo sapiens (Human)359

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