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Compound Detail

CHEMBL328984

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NC(C(=O)O)c1ccc(C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL328984
Phase Preclinical
Structure Type MOL
InChI Key VTMJKPGFERYGJF-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

195.2
MW (Da)
0.47
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.65
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 C9H9NO4
MW 195.17
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.14

Activity Summary

IC50 2 meas. best 4.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 1
CHEMBL3772
IC50 4.19 4.19 65000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7562903 10.1021/jm00019a002 Metabotropic glutamate receptor 1 1
7562903 10.1021/jm00019a002 Metabotropic glutamate receptor 2 1
7562903 10.1021/jm00019a002 Metabotropic glutamate receptor 4 1

Data from ChEMBL 36 via Core Engine