Molecular Details
DICL_CP_0308231
- (2S)-2-amino-4-carbamoylpent-4-enoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308231
PubChem CID
Molecular Formula
C6H10N2O3 Molecular Weight
158.157 g/mol
Synonyms/Alias
[4-Methylene-L-glutamine; (2S)-2-amino-4-carbamoylpent-4-enoic acid; 31138-12-2; 4-methylidene-L-glutamine; 4-methyleneglutamine; C01109; SCHEMBL1331820; CHEMBL5283079; CHEBI:16747; DTXSID30331410; (S...
InChI Key
CEVQXWMPODOBRM-BYPYZUCNSA-N
InChI
InChI=1S/C6H10N2O3/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1
IUPAC Name
(2S)-2-amino-4-carbamoylpent-4-enoic acid
CAS Number
77521-29-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
11 10 0 0 0 0 0 0 0 0999 V2000
2.3655 2.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4355 0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0487 1...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor 1
Uniprot Accession Number
Function
Modulator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >10000 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.5
Holding Potential
Not specified
Temperature
4 °C
Test Method
Binding assay ([3H] AMPA)
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
11
Rotatable Bonds
4
logP
-1.1701
Complexity
38.5626
TPSA (Ų)
106.41
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
0