N-METHYL-D-ASPARTIC ACID (NMDA)

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1903B9Q6PI

Structure
InChI Key HOKKHZGPKSLGJE-GSVOUGTGSA-N
Smile CN[C@H](CC(=O)O)C(=O)O
InChI
InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9NO4
Molecular Weight 147.13
AlogP -0.87
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 86.63
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 10.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 19.05
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 2420 - - -
Enzyme Protease Serine protease
- 2420 - - -
Enzyme Transferase
- - - - 9.071-20.46
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
6860-75000 4150-35000 - 6200-6200 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 101.62

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Borderline Personality Disorder 2 D001883 ClinicalTrials
Depressive Disorder, Major 2 D003865 ClinicalTrials
Brain Injuries 1 D001930 ClinicalTrials

Cross References

Resources Reference
ChEBI 31882
ChEMBL CHEMBL291278
EPA CompTox DTXSID8041082
FDA SRS 1903B9Q6PI
Human Metabolome Database HMDB02393
Guide to Pharmacology 4268
KEGG C12269
PDB OEM
PubChem 22880
SureChEMBL SCHEMBL2220
ZINC ZINC000000901012
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