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Compound Detail

CHEMBL5570623

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

Basic Information

ChEMBL ID CHEMBL5570623
Phase Preclinical
Structure Type MOL
InChI Key YOXCBSSHQBVZCD-VJJSXZLQSA-N
5
Targets
10
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

173.2
MW (Da)
-0.49
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H11NO4
MW 173.17
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.66

Activity Summary

EC50 10 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
 EC50 7.09 7.09 81.3 2
Metabotropic glutamate receptor 3
CHEMBL3067
 EC50 5.73 5.73 1862.1 2
Metabotropic glutamate receptor 6
CHEMBL3842
 EC50 5.67 5.635 2138.0 2
Metabotropic glutamate receptor 1
CHEMBL4477
 EC50 5.29 5.275 5128.6 2
Metabotropic glutamate receptor 5
CHEMBL2564
 EC50 4.95 4.935 11220.2 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 EC50 = 82.0 nM 7.09 Agonist activity at rat mGlu2 transfected in HEK293 cells co-transfected with ch... 38170918
Metabotropic glutamate receptor 2 EC50 = 81.28 nM 7.09 Agonist activity at rat mGlu2 transfected in HEK293 cells co-transfected with ch... 38170918
Metabotropic glutamate receptor 3 EC50 = 1880.0 nM 5.73 Agonist activity at rat mGlu3 transfected in HEK293 cells co-transfected with ch... 38170918
Metabotropic glutamate receptor 3 EC50 = 1862.09 nM 5.73 Agonist activity at rat mGlu3 transfected in HEK293 cells co-transfected with ch... 38170918
Metabotropic glutamate receptor 6 EC50 = 2137.96 nM 5.67 Agonist activity at rat mGlu6 transfected in HEK293 cells co-transfected with ch... 38170918
Metabotropic glutamate receptor 6 EC50 = 2500.0 nM 5.6 Agonist activity at rat mGlu6 transfected in HEK293 cells co-transfected with ch... 38170918
Metabotropic glutamate receptor 1 EC50 = 5128.61 nM 5.29 Agonist activity at rat mGlu1 transfected in HEK293 cells by IP-one HTRF assay 38170918
Metabotropic glutamate receptor 1 EC50 = 5500.0 nM 5.26 Agonist activity at rat mGlu1 transfected in HEK293 cells by IP-one HTRF assay 38170918
Metabotropic glutamate receptor 5 EC50 = 11220.18 nM 4.95 Agonist activity at rat mGlu5 transfected in HEK293 cells by IP-one HTRF assay 38170918
Metabotropic glutamate receptor 5 EC50 = 12000.0 nM 4.92 Agonist activity at rat mGlu5 transfected in HEK293 cells by IP-one HTRF assay 38170918

Literature References

PubMed DOI Target Context # Activities
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 1 3
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 2 3
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 3 3
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 5 3
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 6 3
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 4 2
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 7 2
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 8 2

Data from ChEMBL 36 via Core Engine