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Compound Detail

CHEMBL284193

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N[C@H](C(=O)O)C1[C@@H](C(=O)O)[C@@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL284193
Phase Preclinical
Structure Type MOL
InChI Key MATPZHBYOVDBLI-JJYYJPOSSA-N
8
Targets
17
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

203.2
MW (Da)
-1.57
ALogP
4
HBA
4
HBD
137.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H9NO6
MW 203.15
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.73

Activity Summary

EC50 14 meas. best 7.35
Ki 2 meas. best 6.96
IC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
 EC50 7.35 6.662 45.0 5
Metabotropic glutamate receptor 3
CHEMBL3067
 EC50 7.1 6.8425 80.0 4
Metabotropic glutamate receptor 2
CHEMBL5137
 Ki 6.96 6.96 110.0 1
Metabotropic glutamate receptor 4
CHEMBL2787
 EC50 4.64 4.64 23000.0 1
Metabotropic glutamate receptor 8
CHEMBL2718
 EC50 4.5 4.5 32000.0 1
Metabotropic glutamate receptor 6
CHEMBL3842
 EC50 4.4 4.4 40000.0 1
Metabotropic glutamate receptor 7
CHEMBL3879
 EC50 4.4 4.4 40000.0 1
Metabotropic glutamate receptor 1
CHEMBL4477
 Ki 4.11 4.11 77000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 EC50 = 45.0 nM 7.35 Agonist activity at rat mGlu2 receptor expressed in HEK293 cells assessed as inc... 20218620
Metabotropic glutamate receptor 3 EC50 = 80.0 nM 7.1 Agonist activity at rat mGlu3 receptor by FRET based mGlu sensor assay 26814576
Metabotropic glutamate receptor 3 EC50 = 90.0 nM 7.05 Agonist activity at rat mGlu3 transfected in HEK293 cells assessed as inositol p... 38170918
Metabotropic glutamate receptor 2 Ki = 110.0 nM 6.96 Binding affinity at Metabotropic glutamate receptor 2 12109902
Metabotropic glutamate receptor 3 EC50 = 200.0 nM 6.7 Metabotropic glutamate receptor 3 agonist activity against forskolin stimulated ... 14711315
Metabotropic glutamate receptor 2 EC50 = 300.0 nM 6.52 Concentration for half maximal activation of metabotropic glutamate mGluR2 in ra... 7738999
Metabotropic glutamate receptor 3 EC50 = 300.0 nM 6.52 Concentration for half maximal activation of metabotropic glutamate mGluR3 in ra... 7738999
Metabotropic glutamate receptor 2 EC50 = 300.0 nM 6.52 Metabotropic glutamate receptor 2 agonist activity against forskolin stimulated ... 14711315
Metabotropic glutamate receptor 2 EC50 = 350.0 nM 6.46 Agonist activity at rat mGlu2 receptor by FRET based mGlu sensor assay 26814576
Metabotropic glutamate receptor 2 EC50 = 350.0 nM 6.46 Agonist activity at rat mGlu2 transfected in HEK293 cells assessed as inositol p... 38170918
Metabotropic glutamate receptor 4 EC50 = 23000.0 nM 4.64 Metabotropic glutamate receptor 4 antagonist activity to influence forskolin sti... 14711315
Metabotropic glutamate receptor 8 EC50 = 32000.0 nM 4.5 Metabotropic glutamate receptor 8 antagonist activity to influence forskolin sti... 14711315
Metabotropic glutamate receptor 6 EC50 = 40000.0 nM 4.4 Metabotropic glutamate receptor 6 antagonist activity to influence forskolin sti... 14711315
Metabotropic glutamate receptor 7 EC50 = 40000.0 nM 4.4 Metabotropic glutamate receptor 7 antagonist activity to influence forskolin sti... 14711315
Metabotropic glutamate receptor 1 Ki = 77000.0 nM 4.11 Inhibition of binding to rat mGluR1a (metabotropic glutamate receptor) expressed... 12109902

Literature References

PubMed DOI Target Context # Activities
12109902 10.1021/jm010323l Metabotropic glutamate receptor 2 2
12109902 10.1021/jm010323l Metabotropic glutamate receptor 1 2
7738999 10.1021/jm00009a001 Metabotropic glutamate receptor 1 1
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 3 1
14711315 10.1021/jm030967o Metabotropic glutamate receptor 2 1
14711315 10.1021/jm030967o Metabotropic glutamate receptor 5 1
14711315 10.1021/jm030967o Metabotropic glutamate receptor 1 1
12109902 10.1021/jm010323l Metabotropic glutamate receptor 4 1
7738999 10.1021/jm00009a001 Metabotropic glutamate receptor 4 1
7738999 10.1021/jm00009a001 Metabotropic glutamate receptor 3 1
7738999 10.1021/jm00009a001 Metabotropic glutamate receptor 2 1
10229625 10.1021/jm980571q Metabotropic glutamate receptor 1 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
12166935 10.1021/jm0110486 Metabotropic glutamate receptor 5 1
12166935 10.1021/jm0110486 Metabotropic glutamate receptor 1 1

Data from ChEMBL 36 via Core Engine