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Compound Detail

CHEMBL5558260

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

Basic Information

ChEMBL ID CHEMBL5558260
Phase Preclinical
Structure Type MOL
InChI Key UIVFLGAOAYOEOM-FOHZUACHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

187.2
MW (Da)
-0.10
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H13NO4
MW 187.19
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.39

Activity Summary

EC50 2 meas. best 5.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
 EC50 5.12 5.12 7500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 EC50 = 7500.0 nM 5.12 Agonist activity at rat mGluR2 receptor expressed in HEK293 cells by IP-1 HTRF a... 38245976
Metabotropic glutamate receptor 2 EC50 = 7585.78 nM 5.12 Agonist activity at rat mGluR2 receptor expressed in HEK293 cells by IP-1 HTRF a... 38245976

Literature References

PubMed DOI Target Context # Activities
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 2 3
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 1 2
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 5 2
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 3 2
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 4 2
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 6 2
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 7 2
38245976 10.1016/j.ejmech.2024.116157 Metabotropic glutamate receptor 8 2

Data from ChEMBL 36 via Core Engine