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Compound Detail

CHEMBL329236

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NC1(C(=O)O)C[C@H](C(=O)O)[C@@H](C(=O)O)C1

Basic Information

ChEMBL ID CHEMBL329236
Phase Preclinical
Structure Type MOL
InChI Key FERIKTBTNCSGJS-IMJSIDKUSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
-1.04
ALogP
4
HBA
4
HBD
137.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H11NO6
MW 217.18
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.62

Activity Summary

EC50 1 meas. best 5.06
Ki 1 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 5.06 5.06 8800.0 1
Metabotropic glutamate receptor 4
CHEMBL2736
Ki 5.06 5.06 8800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9301676 10.1021/jm970207b Metabotropic glutamate receptor 1 2
9301676 10.1021/jm970207b Metabotropic glutamate receptor 2 2
10893301 10.1021/jm000007r Metabotropic glutamate receptor 1 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 2 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 4 1
9301676 10.1021/jm970207b Metabotropic glutamate receptor 4 1
15801843 10.1021/jm049092j Metabotropic glutamate receptor 4 1

Data from ChEMBL 36 via Core Engine