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Compound Detail

CHEMBL119635

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N[C@@H](C(=O)O)C1C[C@@H]1C(=O)O

Basic Information

ChEMBL ID CHEMBL119635
Phase Preclinical
Structure Type MOL
InChI Key GZOVEPYOCJWRFC-UJLKTSCASA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

159.1
MW (Da)
-0.88
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H9NO4
MW 159.14
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 1.19

Activity Summary

IC50 2 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.33 6.33 470.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9464367 10.1021/jm970498o Unchecked 1
9464367 10.1021/jm970498o Metabotropic glutamate receptor 2 1
9464367 10.1021/jm970498o Metabotropic glutamate receptor 3 1
9464366 10.1021/jm970497w Unchecked 1
9464366 10.1021/jm970497w Metabotropic glutamate receptor 2 1
9464366 10.1021/jm970497w Metabotropic glutamate receptor 3 1

Data from ChEMBL 36 via Core Engine