Molecular Details
DICL_CP_0309558
- (2S,4R)-2-amino-4-ethylpentanedioic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309558
PubChem CID
Molecular Formula
C7H13NO4 Molecular Weight
175.184 g/mol
Synonyms/Alias
[CHEMBL372124; (2S;4R)-4-ethylglutamic acid; BDBM50178684]
InChI Key
JPMICTZIAZZHCD-UHNVWZDZSA-N
InChI
InChI=1S/C7H13NO4/c1-2-4(6(9)10)3-5(8)7(11)12/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)/t4-,5+/m1/s1
IUPAC Name
(2S,4R)-2-amino-4-ethylpentanedioic acid
CAS Number
147782-19-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
25 24 0 0 0 0 0 0 0 0999 V2000
-2.2900 -1.5976 -1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2459 -0.6098 -0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9963 0.299...
Experimental Data
Activity Data
Target Ion Channel
Ionotropic glutamate receptor subunit iGlu7
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 27.5 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.1
Holding Potential
Not specified
Temperature
4 °C
Test Method
Binding assay ([3H] SYM-2081)
Test Species
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
12
Rotatable Bonds
5
logP
-0.1008
Complexity
41.645
TPSA (Ų)
100.62
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
0