Molecular Details
DICL_CP_0320422
- (2S,3R)-3-(3-carboxy-4-chlorophenyl)pyrrolidine-2-carboxylic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320422
PubChem CID
N/A (Not available)
Molecular Formula
C12H12ClNO4 Molecular Weight
269.684 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
OSPQPFOGLSUXAF-XCBNKYQSSA-N
InChI
InChI=1S/C12H12ClNO4/c13-9-2-1-6(5-8(9)11(15)16)7-3-4-14-10(7)12(17)18/h1-2,5,7,10,14H,3-4H2,(H,15,1...
IUPAC Name
(2S,3R)-3-(3-carboxy-4-chlorophenyl)pyrrolidine-2-carboxylic 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
30 31 0 0 0 0 0 0 0 0999 V2000
-3.5834 1.5945 -1.2240 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3848 1.3092 -1.8722 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1236 1.079...
Experimental Data
Activity Data
Target Ion Channel
Ionotropic glutamate receptor subunit GluN1/GluN2D receptor
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 170000 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 7.5
Holding Potential
−40 mV mV
Temperature
18 °C
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
3
logP
1.5683
Complexity
65.1958
TPSA (Ų)
86.63
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
2