Molecular Details
DICL_CP_0309371
- 2-amino-2-(2-methyl-5-oxo-1H-triazol-4-yl)acetic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309371
PubChem CID
Molecular Formula
C5H8N4O3 Molecular Weight
172.144 g/mol
Synonyms/Alias
[CHEMBL4444367; BDBM50512942]
InChI Key
XIHPOCPYPPMSQL-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N4O3/c1-9-7-3(4(10)8-9)2(6)5(11)12/h2H,6H2,1H3,(H,8,10)(H,11,12)
IUPAC Name
2-amino-2-(2-methyl-5-oxo-1H-triazol-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
20 20 0 0 0 0 0 0 0 0999 V2000
2.8760 0.4739 -1.3397 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7836 0.0013 -0.5013 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7445 -1.197...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 1/2D
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 58000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−60 mV mV
Temperature
Room Temperature
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
12
Rotatable Bonds
2
logP
-1.8072
Complexity
38.3929
TPSA (Ų)
114
H-Bond Donors
3
H-Bond Acceptors
5
Ring Count
1