Molecular Details
DICL_CP_0308372
- (2S,4R)-2-amino-4-methylpentanedioic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308372
PubChem CID
Molecular Formula
C6H11NO4 Molecular Weight
161.157 g/mol
Synonyms/Alias
[31137-74-3; (2S;4R)-4-Methylglutamic acid; sym 2081; (2S;4R)-2-amino-4-methylpentanedioic acid; 2S;4R-4-Methylglutamate; SYM-2081; 77842-39-8; PQ76GL74VZ; 6B8Q87JVZ7; CHEMBL288166; 4-Methyl-L-glutami...
InChI Key
KRKRAOXTGDJWNI-DMTCNVIQSA-N
InChI
InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4+/m1/s1
IUPAC Name
(2S,4R)-2-amino-4-methylpentanedioic 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
22 21 0 0 0 0 0 0 0 0999 V2000
-2.3023 -1.2388 -0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2449 -0.1305 -0.3285 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1748 -0.724...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 2C
Uniprot Accession Number
Function
Modulator
Species
Rattus norvegicus (Rat)
IC50
IC50: >7000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Binding assay
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
11
Rotatable Bonds
4
logP
-0.4909
Complexity
37.028
TPSA (Ų)
100.62
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
0