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Compound Detail

CHEMBL297150

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NN1C[C@@](N)(C(=O)O)C[C@@H]1C(=O)O

Basic Information

ChEMBL ID CHEMBL297150
Phase Preclinical
Structure Type MOL
InChI Key MJUZIVFENBZUFH-AWFVSMACSA-N
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

189.2
MW (Da)
-2.20
ALogP
5
HBA
4
HBD
129.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H11N3O4
MW 189.17
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 0.47

Activity Summary

EC50 2 meas. best 5.32
Ki 2 meas. best 5.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
EC50 5.32 5.32 4800.0 1
Metabotropic glutamate receptor 2
CHEMBL5137
Ki 5.32 5.32 4800.0 1
Metabotropic glutamate receptor 3
CHEMBL2888
EC50 4.28 4.28 52000.0 1
Metabotropic glutamate receptor 3
CHEMBL2888
Ki 4.28 4.28 52000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10397508 10.1016/s0960-894x(99)00266-8 NON-PROTEIN TARGET 4
10397508 10.1016/s0960-894x(99)00266-8 Metabotropic glutamate receptor 2 1
10397508 10.1016/s0960-894x(99)00266-8 Metabotropic glutamate receptor 3 1
10397508 10.1016/s0960-894x(99)00266-8 Metabotropic glutamate receptor 1 1
10397508 10.1016/s0960-894x(99)00266-8 Metabotropic glutamate receptor 5 1
10397508 10.1016/s0960-894x(99)00266-8 Metabotropic glutamate receptor 4 1
10397508 10.1016/s0960-894x(99)00266-8 Metabotropic glutamate receptor 6 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 1 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 2 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 3 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 4 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 5 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 6 1

Data from ChEMBL 36 via Core Engine