Molecular Details
DICL_CP_0311016
- 2-amino-2-(4-chloro-2-hydroxypyrazol-3-yl)acetic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311016
PubChem CID
Molecular Formula
C5H6ClN3O3 Molecular Weight
191.574 g/mol
Synonyms/Alias
[CHEMBL506409; BDBM50252433; AKOS006309263; (R;S)-amino-(1-hydroxy-4-chloro-pyrazol-3-yl)-acetic acid]
InChI Key
ALAIWCRFCPSHKS-UHFFFAOYSA-N
InChI
InChI=1S/C5H6ClN3O3/c6-2-1-8-9(12)4(2)3(7)5(10)11/h1,3,12H,7H2,(H,10,11)
IUPAC Name
2-amino-2-(4-chloro-2-hydroxypyrazol-3-yl)acetic 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
18 18 0 0 0 0 0 0 0 0999 V2000
2.3784 1.0920 -0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6193 0.1948 0.6695 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5052 -0.495...
Experimental Data
Activity Data
Target Ion Channel
Ionotropic glutamate receptor subunit NR1/NR2D
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 152000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.6
Holding Potential
−60 mV mV
Temperature
23 °C
Test Method
Patch-clamping
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
12
Rotatable Bonds
2
logP
-0.1418
Complexity
38.9857
TPSA (Ų)
101.37
H-Bond Donors
3
H-Bond Acceptors
5
Ring Count
1