Molecular Details
DICL_CP_0308182
- (2R)-2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308182
PubChem CID
Molecular Formula
C5H7N3O3 Molecular Weight
157.129 g/mol
Synonyms/Alias
[CHEMBL504317; (R)-2-amino-2-(1-hydroxy-1H-pyrazol-5-yl)acetic acid; BDBM50252360]
InChI Key
IICRPKTXGWIJCY-SCSAIBSYSA-N
InChI
InChI=1S/C5H7N3O3/c6-4(5(9)10)3-1-2-7-8(3)11/h1-2,4,11H,6H2,(H,9,10)/t4-/m1/s1
IUPAC Name
(2R)-2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid
CAS Number
777097-53-7
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
1.7228 -0.6785 -0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6241 -0.1970 -0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9701 0.966...
Experimental Data
Activity Data
Target Ion Channel
Ionotropic glutamate receptor subunit NR1/NR2B
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 14000 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
11
Rotatable Bonds
2
logP
-0.7952
Complexity
33.9757
TPSA (Ų)
101.37
H-Bond Donors
3
H-Bond Acceptors
5
Ring Count
1