Molecular Details
DICL_CP_0307726
- 2-(3-aminopropanoylamino)acetic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307726
PubChem CID
Molecular Formula
C5H10N2O3 Molecular Weight
146.146 g/mol
Synonyms/Alias
[beta-Alanylglycine; 2672-88-0; H-BETA-ALA-GLY-OH; Glycine; b-alanyl-; 2-(3-aminopropanoylamino)acetic acid; beta-Ala-Gly; CHEBI:73834; 2-(3-aminopropanamido)acetic acid; CHEMBL157332; beta-Alanyl gly...
InChI Key
QDHYJVJAGQLHBA-UHFFFAOYSA-N
InChI
InChI=1S/C5H10N2O3/c6-2-1-4(8)7-3-5(9)10/h1-3,6H2,(H,7,8)(H,9,10)
IUPAC Name
2-(3-aminopropanoylamino)acetic acid
CAS Number
1846625-59-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
20 19 0 0 0 0 0 0 0 0999 V2000
1.1138 1.2914 0.9076 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5100 0.7286 0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4967 -0.724...
Experimental Data
Activity Data
Target Ion Channel
Ionotropic glutamate receptor subunit NR1/NR2A
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
IC50: 470000 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
−80 mV mV
Temperature
18 °C
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
10
Rotatable Bonds
4
logP
-1.464
Complexity
34.3169
TPSA (Ų)
92.42
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
0