N-METHYL-D-ASPARTIC ACID (NMDA)

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Search structure


Synonyms	(R)-2-(Methylamino)Succinic Acid 2-Methylamino-Succinic Acid N-Methyl-Daspartate N-methyl-d-aspartic acid (nmda) Nmda
Status
Molecule Category	Free-form
UNII	1903B9Q6PI
EPA CompTox	DTXSID8041082

Structure


InChI Key	HOKKHZGPKSLGJE-GSVOUGTGSA-N
Smiles	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(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	98.22-101.62

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	98.22-101.62

Cross References

Resources	Reference
ChEBI	31882
ChEMBL	CHEMBL291278
FDA SRS	1903B9Q6PI
Human Metabolome Database	HMDB0002393
Guide to Pharmacology	4268
KEGG	C12269
PDB	OEM
SureChEMBL	SCHEMBL2220
ZINC	ZINC000000901012

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025