Molecular Details
DICL_CP_0310264
- 2-amino-2-(5-ethyl-1-hydroxypyrazol-4-yl)acetic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310264
PubChem CID
Molecular Formula
C7H11N3O3 Molecular Weight
185.183 g/mol
Synonyms/Alias
[CHEMBL390863; BDBM50208764; (RS)-2-amino-(5-ethyl-1-hydroxy-4-pyrazolyl)acetic acid]
InChI Key
LIZSERNRAMXZGL-UHFFFAOYSA-N
InChI
InChI=1S/C7H11N3O3/c1-2-5-4(3-9-10(5)13)6(8)7(11)12/h3,6,13H,2,8H2,1H3,(H,11,12)
IUPAC Name
2-amino-2-(5-ethyl-1-hydroxypyrazol-4-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
24 24 0 0 0 0 0 0 0 0999 V2000
-2.5973 -0.0160 -0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4656 0.9524 -0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5713 0.386...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor 1
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: >100000 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
Not specified
Temperature
23 °C
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
13
Rotatable Bonds
3
logP
-0.2328
Complexity
43.3537
TPSA (Ų)
101.37
H-Bond Donors
3
H-Bond Acceptors
5
Ring Count
1