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Ligand

NameCHEMBL376202
Molecular formulaC27H28N2O3S
IUPAC name2-methoxy-5-[[4-[1-(thiophen-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid
Molecular weight460.592
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50156872
SCHEMBL5344198
2-methoxy-5-[4-(1-thiophen-2-ylmethyl-1H-indol-3-yl)-piperidin-1-ylmethyl]benzoic acid
ZERWJGDOIKPLKM-UHFFFAOYSA-N
2-methoxy-5-[4-(1-thiophen-2-ylmethyl-1H-indol-3-yl)-piperidin-1-ylmethyl]-benzoic Acid
Inchi KeyZERWJGDOIKPLKM-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N2O3S/c1-32-26-9-8-19(15-23(26)27(30)31)16-28-12-10-20(11-13-28)24-18-29(17-21-5-4-14-33-21)25-7-3-2-6-22(24)25/h2-9,14-15,18,20H,10-13,16-17H2,1H3,(H,30,31)
PubChem CID10226501
ChEMBLCHEMBL376202
IUPHARN/A
BindingDB50156872
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
426536Histamine H1 receptorP70174Hrh1Mus musculus (Mouse)488
426537Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
426535Histamine H2 receptorP25021HRH2Homo sapiens (Human)359

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