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Compound Detail

CHEMBL358200

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N[C@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21

Basic Information

ChEMBL ID CHEMBL358200
Phase Preclinical
Structure Type MOL
InChI Key VTAARTQTOOYTES-KALNXVOASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

185.2
MW (Da)
-0.49
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H11NO4
MW 185.18
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.31

Activity Summary

IC50 1 meas. best 4.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 4.21 4.21 62400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 62400.0 nM 4.21 Inhibitory concentration against radioligand [3H]CGS-19,755 binding to N-methyl-... 9046344

Literature References

PubMed DOI Target Context # Activities
9046344 10.1021/jm9606756 Rattus norvegicus 2
9046344 10.1021/jm9606756 Unchecked 1
9046344 10.1021/jm9606756 Glutamate NMDA receptor 1
9046344 10.1021/jm9606756 Glutamate receptor ionotropic, AMPA 1
9046344 10.1021/jm9606756 Glutamate receptor ionotropic, kainate 1

Data from ChEMBL 36 via Core Engine