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Compound Detail

CHEMBL334160

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

Basic Information

ChEMBL ID CHEMBL334160
Phase Preclinical
Structure Type MOL
InChI Key ZLKKUEAUAXFRAV-STGXQOJASA-N
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

173.2
MW (Da)
-0.63
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.53
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 C7H11NO4
MW 173.17
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.04

Activity Summary

EC50 8 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
 EC50 8.1 8.1 8.0 1
Metabotropic glutamate receptor 2
CHEMBL5137
 EC50 8.1 8.1 8.0 2
Metabotropic glutamate receptor 3
CHEMBL2888
 EC50 7.42 7.42 38.0 2
Metabotropic glutamate receptor 3
CHEMBL3067
 EC50 7.42 7.42 38.0 1
Metabotropic glutamate receptor 6
CHEMBL3842
 EC50 5.92 5.92 1198.0 1
Metabotropic glutamate receptor 8
CHEMBL2718
 EC50 5.88 5.88 1320.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 EC50 = 8.0 nM 8.1 Metabotropic glutamate receptor 2 agonist activity against forskolin stimulated ... 14711315
Metabotropic glutamate receptor 2 EC50 = 8.0 nM 8.1 Agonist activity at human recombinant mGluR2 receptor assessed as inhibition of ... 38245976
Metabotropic glutamate receptor 2 EC50 = 8.0 nM 8.1 Agonist activity at mGlu2 (unknown origin) 38170918
Metabotropic glutamate receptor 3 EC50 = 38.0 nM 7.42 Metabotropic glutamate receptor 3 agonist activity against forskolin stimulated ... 14711315
Metabotropic glutamate receptor 3 EC50 = 38.0 nM 7.42 Agonist activity at human recombinant mGluR3 receptor assessed as inhibition of ... 38245976
Metabotropic glutamate receptor 3 EC50 = 38.0 nM 7.42 Agonist activity at mGlu3 (unknown origin) 38170918
Metabotropic glutamate receptor 6 EC50 = 1198.0 nM 5.92 Metabotropic glutamate receptor 6 agonist activity to influence forskolin stimul... 14711315
Metabotropic glutamate receptor 8 EC50 = 1320.0 nM 5.88 Metabotropic glutamate receptor 8 agonist activity against forskolin stimulated ... 14711315

Literature References

PubMed DOI Target Context # Activities
14711315 10.1021/jm030967o Metabotropic glutamate receptor 5 1
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 3 1
20638290 10.1016/j.bmc.2010.06.051 Metabotropic glutamate receptor 4 1
20638290 10.1016/j.bmc.2010.06.051 Metabotropic glutamate receptor 2 1
20638290 10.1016/j.bmc.2010.06.051 Metabotropic glutamate receptor 1 1
14711315 10.1021/jm030967o Metabotropic glutamate receptor 8 1
14711315 10.1021/jm030967o Metabotropic glutamate receptor 7 1
14711315 10.1021/jm030967o Metabotropic glutamate receptor 6 1
14711315 10.1021/jm030967o Metabotropic glutamate receptor 4 1
14711315 10.1021/jm030967o Metabotropic glutamate receptor 3 1
14711315 10.1021/jm030967o Metabotropic glutamate receptor 2 1
12166935 10.1021/jm0110486 Metabotropic glutamate receptor 1 1
14711315 10.1021/jm030967o Metabotropic glutamate receptor 1 1
12166935 10.1021/jm0110486 Homo sapiens 1
12166935 10.1021/jm0110486 Metabotropic glutamate receptor 8 1
12166935 10.1021/jm0110486 Metabotropic glutamate receptor 7 1
12166935 10.1021/jm0110486 Metabotropic glutamate receptor 6 1
12166935 10.1021/jm0110486 Metabotropic glutamate receptor 4 1
12166935 10.1021/jm0110486 Metabotropic glutamate receptor 3 1
12166935 10.1021/jm0110486 Metabotropic glutamate receptor 2 1

Data from ChEMBL 36 via Core Engine