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Compound Detail

CHEMBL5565734

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

Basic Information

ChEMBL ID CHEMBL5565734
Phase Preclinical
Structure Type MOL
InChI Key CQOQGFPPQJNODN-STGXQOJASA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

189.2
MW (Da)
-1.66
ALogP
4
HBA
4
HBD
120.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H11NO5
MW 189.17
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.37

Activity Summary

EC50 4 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
EC50 8.4 8.4 4.0 1
Metabotropic glutamate receptor 3
CHEMBL3067
EC50 8.15 8.15 7.0 1
Metabotropic glutamate receptor 2
CHEMBL5137
EC50 8.1 8.1 8.0 1
Metabotropic glutamate receptor 3
CHEMBL2888
EC50 7.42 7.42 38.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 2 1
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 3 1
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 2 1
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 3 1

Data from ChEMBL 36 via Core Engine