Molecular Details
DICL_CP_0311804
- (2S,4Z)-2-amino-4-(2-methylpropylidene)pentanedioic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311804
PubChem CID
Molecular Formula
C9H15NO4 Molecular Weight
201.222 g/mol
Synonyms/Alias
[LY-339675; CHEMBL298800; SCHEMBL8401766; SCHEMBL8401769; (2S;4Z)-2-amino-4-(2-methylpropylidene)pentanedioic Acid; BDBM50091475]
InChI Key
AYWSXMRAQKWRMH-NFNQMPKISA-N
InChI
InChI=1S/C9H15NO4/c1-5(2)3-6(8(11)12)4-7(10)9(13)14/h3,5,7H,4,10H2,1-2H3,(H,11,12)(H,13,14)/b6-3-/t7...
IUPAC Name
(2S,4Z)-2-amino-4-(2-methylpropylidene)pentanedioic acid
CAS Number
302906-55-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
29 28 0 0 0 0 0 0 0 0999 V2000
-3.1134 0.4944 0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3326 -0.4624 -0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3265 -0.006...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit kainate 5
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 82200 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
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
14
Rotatable Bonds
5
logP
0.4554
Complexity
50.785
TPSA (Ų)
100.62
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
0