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Compound Detail

CHEMBL143267

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

Basic Information

ChEMBL ID CHEMBL143267
Phase Preclinical
Structure Type MOL
InChI Key PQFJICGWSAKMIG-RARCZQNLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
-1.18
ALogP
4
HBA
4
HBD
137.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
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 1.10

Activity Summary

EC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
 EC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 EC50 = 300.0 nM 6.52 Metabotropic glutamate receptor 2 agonist activity against forskolin stimulated ... 14711315

Literature References

PubMed DOI Target Context # Activities
14711315 10.1021/jm030967o Metabotropic glutamate receptor 1 1
14711315 10.1021/jm030967o Metabotropic glutamate receptor 5 1
14711315 10.1021/jm030967o Metabotropic glutamate receptor 2 1
14711315 10.1021/jm030967o Metabotropic glutamate receptor 3 1
14711315 10.1021/jm030967o Metabotropic glutamate receptor 4 1
14711315 10.1021/jm030967o Metabotropic glutamate receptor 6 1
14711315 10.1021/jm030967o Metabotropic glutamate receptor 7 1
14711315 10.1021/jm030967o Metabotropic glutamate receptor 8 1

Data from ChEMBL 36 via Core Engine