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Compound Detail

CHEMBL291278

N-METHYL-D-ASPARTIC ACID (NMDA)
🧪 Phase II
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🧪 Phase II
CN[C@H](CC(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL291278
Name N-METHYL-D-ASPARTIC ACID (NMDA)
Phase Phase II
Structure Type MOL
InChI Key HOKKHZGPKSLGJE-GSVOUGTGSA-N

Known Names

(r)-2-(methylamino)succinic acid 2-methylamino-succinic acid N-methyl-d-aspartic acid (nmda) N-methyl-daspartate
9
Targets
21
Activities
3
Assay Types
0
PK Parameters
20
Publications
4
Known Names
3
Indications

Molecular Properties

147.1
MW (Da)
-0.87
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Unknown

Flags

Natural Product

Extended Properties

Molecular Formula C5H9NO4
MW 147.13
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 0.95

Indications

Borderline Personality Disorder Depressive Disorder, Major Brain Injuries

Activity Summary

EC50 11 meas. best 5.16
IC50 7 meas. best 6.12
Ki 3 meas. best 5.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine protease hepsin
CHEMBL2079849
 IC50 6.12 6.12 750.0 1
Trypsin
CHEMBL2366
 IC50 5.62 5.62 2420.0 1
Glutamate NMDA receptor
CHEMBL1907608
 IC50 5.38 5.132 4150.0 5
Unchecked
CHEMBL612545
 Ki 5.38 5.38 4200.0 1
Glutamate NMDA receptor
CHEMBL1907608
 Ki 5.21 5.21 6200.0 2
Glutamate NMDA receptor
CHEMBL1907608
 EC50 5.16 4.64 6860.0 2
Ionotropic glutamate receptor NMDA 1/2D
CHEMBL3038506
 EC50 5.08 5.08 8300.0 1
Unchecked
CHEMBL612545
 EC50 5.05 4.7125 9000.0 4
Rattus norvegicus
CHEMBL376
 EC50 4.96 4.96 11000.0 1
Glutamate NMDA receptor; Grin1/Grin2b
CHEMBL2096666
 EC50 4.66 4.66 22000.0 1
Glutamate NMDA receptor; Grin1/Grin2c
CHEMBL2096911
 EC50 4.64 4.64 23000.0 1
Glutamate NMDA receptor; Grin1/Grin2a
CHEMBL2096680
 EC50 4.12 4.12 75000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine protease hepsin IC50 = 750.0 nM 6.12 High-Throughput Screening Assay: To identify novel inhibitors of hepsin, the Che... -
Trypsin IC50 = 2420.0 nM 5.62 High-Throughput Screening Assay: To identify novel inhibitors of hepsin, the Che... -
Unchecked Ki = 4200.0 nM 5.38 Displacement of [3H]CGS19755 from excitatory NMDA receptor 8496700
Glutamate NMDA receptor IC50 = 4150.0 nM 5.38 Compound was evaluated for the inhibition of [3H]-CGS-19,755 binding at N-methyl... 1361579
Glutamate NMDA receptor IC50 = 4550.0 nM 5.34 Compound was tested for inhibition of [3H]CPP binding from N-methyl-D-aspartate ... 2145436
Glutamate NMDA receptor IC50 = 5500.0 nM 5.26 Compound was evaluated for the inhibition of [3H]CGS-19,755 binding to NMDA rece... -
Glutamate NMDA receptor IC50 = 6000.0 nM 5.22 Inhibition of [3H]CPP binding to N-methyl-D-aspartate glutamate receptor of rat ... 2170646
Glutamate NMDA receptor Ki = 6200.0 nM 5.21 Displacement of [3H]CGP39653 from NMDA receptor in rat brain synaptic cortical m... 30943028
Glutamate NMDA receptor Ki = 6200.0 nM 5.21 Displacement of [3H]CGP39653 from NMDA receptor in Sprague-Dawley rat brain memb... 20408529
Glutamate NMDA receptor EC50 = 6860.0 nM 5.16 Compound was evaluated for the inhibition of [3H]MK-801 binding at N-methyl-D-as... 1361579
Ionotropic glutamate receptor NMDA 1/2D EC50 = 8300.0 nM 5.08 Activity at rat NR1/NR2D receptor expressed in Xenopus oocytes assessed as effec... 18578474
Unchecked EC50 = 9000.0 nM 5.05 Effective concentration against NR1/NR2A receptor 10893301
Rattus norvegicus EC50 = 11000.0 nM 4.96 Electropharmacology on rat cortical slice preparation for EAA-evoked depolarizat... 10514280
Unchecked EC50 = 20000.0 nM 4.7 Effective concentration against NR1/NR2A receptor 10893301
Glutamate NMDA receptor; Grin1/Grin2b EC50 = 22000.0 nM 4.66 Activity at rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes asses... 18578474
Unchecked EC50 = 22000.0 nM 4.66 Effective concentration against NR1/NR2A receptor 10893301
Glutamate NMDA receptor; Grin1/Grin2c EC50 = 23000.0 nM 4.64 Activity at rat recombinant NR1/NR2C receptor expressed in Xenopus oocytes asses... 18578474
Glutamate NMDA receptor IC50 = 35000.0 nM 4.46 Inhibitory activity against N-methyl-D-aspartate glutamate receptor using [3H]CP... 8568805
Unchecked EC50 = 36000.0 nM 4.44 Effective concentration against NR1/NR2A receptor 10893301
Glutamate NMDA receptor; Grin1/Grin2a EC50 = 75000.0 nM 4.12 Activity at rat recombinant NR1/NR2A receptor expressed in Xenopus oocytes asses... 18578474

Literature References

PubMed DOI Target Context # Activities
10893301 10.1021/jm000007r Unchecked 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
1361579 10.1021/jm00102a015 Glutamate NMDA receptor 3
18578474 10.1021/jm800025e Glutamate NMDA receptor; Grin1/Grin2b 2
18578474 10.1021/jm800025e Glutamate NMDA receptor; Grin1/Grin2a 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
8496700 10.1021/np50094a001 Unchecked 2
18578474 10.1021/jm800025e Glutamate NMDA receptor; Grin1/Grin2c 2
2160533 10.1021/jm00168a007 Rattus norvegicus 2
2145436 10.1021/jm00172a037 Glutamate NMDA receptor 2
18578474 10.1021/jm800025e Ionotropic glutamate receptor NMDA 1/2D 2
9572889 10.1021/jm970719q Glutamate NMDA receptor 2
20408529 10.1021/jm1001452 Unchecked 2
3351864 10.1021/jm00399a030 Unchecked 1
- 10.1016/0960-894X(96)00436-2 Glutamate receptor ionotropic, AMPA 1
- 10.1016/0960-894X(96)00436-2 Glutamate receptor ionotropic, kainate 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
1967316 10.1021/jm00163a060 Glutamate NMDA receptor 1
2170646 10.1021/jm00172a015 Glutamate NMDA receptor 1
8568805 10.1021/jm950393q Glutamate receptor ionotropic, kainate 1

Data from ChEMBL 36 via Core Engine