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Compound Detail

CHEMBL289439

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C[C@H](C[C@@H](N)C(=O)O)C(=O)O

Basic Information

ChEMBL ID CHEMBL289439
Phase Preclinical
Structure Type MOL
InChI Key KRKRAOXTGDJWNI-QWWZWVQMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

161.2
MW (Da)
-0.49
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H11NO4
MW 161.16
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 1.17

Activity Summary

IC50 1 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate
CHEMBL2094119
IC50 6.48 6.48 330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7629789 10.1021/jm00014a002 Glutamate receptor 1 2
10229625 10.1021/jm980571q Metabotropic glutamate receptor 1 1
10229625 10.1021/jm980571q Metabotropic glutamate receptor 2 1
7629789 10.1021/jm00014a002 Glutamate receptor ionotropic, kainate 1

Data from ChEMBL 36 via Core Engine