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Compound Detail

CHEMBL365368

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C[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL365368
Phase Preclinical
Structure Type MOL
InChI Key BQVZICWQBFTOJX-DJBRRKJBSA-N
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

199.2
MW (Da)
-0.24
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.57
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 C9H13NO4
MW 199.21
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 1.34

Activity Summary

EC50 5 meas. best 7.54
Ki 2 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL5137
 EC50 7.54 7.445 28.6 2
Metabotropic glutamate receptor 3
CHEMBL2888
 EC50 7.47 7.125 34.0 2
Metabotropic glutamate receptor 3
CHEMBL2888
 Ki 6.29 6.29 511.0 1
Metabotropic glutamate receptor 2
CHEMBL5137
 Ki 6.2 6.2 635.0 1
Metabotropic glutamate receptor 6
CHEMBL4573
 EC50 5.03 5.03 9280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 EC50 = 28.6 nM 7.54 Agonist activity at human mGlu2 receptor expressed in golden Syrian hamster AV12... 23675965
Metabotropic glutamate receptor 3 EC50 = 34.0 nM 7.47 Evaluation of the functional effect on cAMP responses in RGT cells expressing hu... 15887967
Metabotropic glutamate receptor 2 EC50 = 45.0 nM 7.35 Evaluation of the functional effect on cAMP responses in RGT cells expressing hu... 15887967
Metabotropic glutamate receptor 3 EC50 = 166.0 nM 6.78 Agonist activity at human mGlu3 receptor expressed in golden Syrian hamster AV12... 23675965
Metabotropic glutamate receptor 3 Ki = 511.0 nM 6.29 Displacement of [3H]-341495 binding to membranes expressing recombinant human Me... 15887967
Metabotropic glutamate receptor 2 Ki = 635.0 nM 6.2 Displacement of [3H]-341495 binding to membranes expressing recombinant human Me... 15887967
Metabotropic glutamate receptor 6 EC50 = 9280.0 nM 5.03 Agonist activity at human mGlu6 receptor expressed in golden Syrian hamster AV12... 23675965

Literature References

PubMed DOI Target Context # Activities
15887967 10.1021/jm040222y Metabotropic glutamate receptor 2 2
15887967 10.1021/jm040222y Metabotropic glutamate receptor 3 2
23675965 10.1021/jm4000165 Metabotropic glutamate receptor 6 2
23675965 10.1021/jm4000165 Metabotropic glutamate receptor 3 2
23675965 10.1021/jm4000165 Metabotropic glutamate receptor 2 2
23675965 10.1021/jm4000165 Metabotropic glutamate receptor 8 1

Data from ChEMBL 36 via Core Engine