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Compound Detail

CHEMBL288635

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N[C@]1(C(=O)O)C[C@H](C(=O)O)[C@H](C(=O)O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL288635
Phase Preclinical
Structure Type MOL
InChI Key FERIKTBTNCSGJS-OCDMWJSJSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
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

IC50 2 meas. best 4.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
 IC50 4.06 4.06 88000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 IC50 = 88000.0 nM 4.06 Inhibitory activity against Metabotropic glutamate receptor 2 in the rat HEK 293... 10229625

Literature References

PubMed DOI Target Context # Activities
10229625 10.1021/jm980571q Metabotropic glutamate receptor 1 2
10229625 10.1021/jm980571q Metabotropic glutamate receptor 2 2
9301676 10.1021/jm970207b Metabotropic glutamate receptor 1 2
9301676 10.1021/jm970207b Metabotropic glutamate receptor 2 2
9301676 10.1021/jm970207b Metabotropic glutamate receptor 4 2

Data from ChEMBL 36 via Core Engine