[3H]MDL105519   

GtoPdb Ligand ID: 4088

   
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 90.39
Molecular weight 375.01
XLogP 4.71
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1cc(Cl)c2c(c1)[nH]c(c2C=C(c1ccccc1)C(=O)O)C(=O)O
Isomeric SMILES Clc1cc(Cl)c2c(c1)[nH]c(c2C=C(c1ccccc1)C(=O)O)C(=O)O
InChI InChI=1S/C18H11Cl2NO4/c19-10-6-13(20)15-12(16(18(24)25)21-14(15)7-10)8-11(17(22)23)9-4-2-1-3-5-9/h1-8,21H,(H,22,23)(H,24,25)
InChI Key LPWVUDLZUVBQGP-UHFFFAOYSA-N
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
GluN1 Rn Antagonist Antagonist ~8.5 pKd - 1
pKd ~8.5 (Kd ~3x10-9 M) [Binds to: glycine site] [1]
GluN2A Hs Antagonist Antagonist - - -
[Binds to: glycine site]
GluN2B Hs Antagonist Antagonist - - -
[Binds to: glycine site]
GluN2C Hs Antagonist Antagonist - - -
[Binds to: glycine site]
GluN2D Hs Antagonist Antagonist - - -
[Binds to: glycine site]