Molecular Details
DICL_CP_0310690
- (2S,4S)-2-amino-4-propan-2-ylpentanedioic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310690
PubChem CID
Molecular Formula
C8H15NO4 Molecular Weight
189.211 g/mol
Synonyms/Alias
[CHEMBL199564; (2S;4S)-4-isopropylglutamic acid; BDBM50178683]
InChI Key
KPRDXJJAACANAI-WDSKDSINSA-N
InChI
InChI=1S/C8H15NO4/c1-4(2)5(7(10)11)3-6(9)8(12)13/h4-6H,3,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1
IUPAC Name
(2S,4S)-2-amino-4-propan-2-ylpentanedioic acid
CAS Number
20913-74-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
28 27 0 0 0 0 0 0 0 0999 V2000
-2.3036 0.2838 -1.2717 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8373 0.5889 0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8598 0.051...
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: 383 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
13
Rotatable Bonds
5
logP
0.1452
Complexity
46.192
TPSA (Ų)
100.62
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
0