Molecular Details
DICL_CP_0333300
- 2-amino-3-[2-(2-carboxyethyl)-5-chloro-4-nitrophenyl]propanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0333300
PubChem CID
Molecular Formula
C12H13ClN2O6 Molecular Weight
316.697 g/mol
Synonyms/Alias
[CHEMBL1835336; BDBM50355329]
InChI Key
DRCLPFURMHGQPC-UHFFFAOYSA-N
InChI
InChI=1S/C12H13ClN2O6/c13-8-3-7(4-9(14)12(18)19)6(1-2-11(16)17)5-10(8)15(20)21/h3,5,9H,1-2,4,14H2,(H...
IUPAC Name
2-amino-3-[2-(2-carboxyethyl)-5-chloro-4-nitrophenyl]propanoic acid
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
34 34 0 0 0 0 0 0 0 0999 V2000
-1.8107 1.6104 0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8901 0.5615 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2903 0.545...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor 4
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 20400 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Binding assay
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
21
Rotatable Bonds
7
logP
1.2198
Complexity
73.3784
TPSA (Ų)
143.76
H-Bond Donors
3
H-Bond Acceptors
5
Ring Count
1