Molecular Details
DICL_CP_0318596
- 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0318596
PubChem CID
Molecular Formula
C10H5Cl2NO3 Molecular Weight
258.06 g/mol
Synonyms/Alias
[5;7-Dichlorokynurenic acid; 131123-76-7; 5;7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID; 5;7-Dcka; 5;7-Dichloroquinurenic acid; 2-Quinolinecarboxylic acid; 5;7-dichloro-4-hydroxy-; 5;7-Dichorokynu...
InChI Key
BGKFPRIGXAVYNX-UHFFFAOYSA-N
InChI
InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
IUPAC Name
5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid
CAS Number
131123-76-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
21 22 0 0 0 0 0 0 0 0999 V2000
-1.4278 1.3454 -0.6803 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7808 1.0134 -0.6533 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1857 -0.226...
Experimental Data
Activity Data
Target Ion Channel
Ionotropic glutamate receptor subunit GluN1(F484A/T518L)/N3A
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
IC50: 41000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−40 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
glycine binding site
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
16
Rotatable Bonds
1
logP
2.5331
Complexity
61.548
TPSA (Ų)
70.16
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
2