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Compound Detail

CHEMBL212233

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N[C@@]1(C(=O)O)C[C@@H](C(=O)O)N(C(=O)/C=C/C(=O)O)C1

Basic Information

ChEMBL ID CHEMBL212233
Phase Preclinical
Structure Type MOL
InChI Key ZALHFQNLXQORTH-FGLATXDZSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

272.2
MW (Da)
-1.91
ALogP
5
HBA
4
HBD
158.2
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 C10H12N2O7
MW 272.21
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 0.48

Activity Summary

EC50 3 meas. best 4.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
EC50 4.32 4.32 48300.0 1
Metabotropic glutamate receptor 8
CHEMBL2718
EC50 4.25 4.25 56200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16828551 10.1016/j.bmcl.2006.06.062 Metabotropic glutamate receptor 4 4
16828551 10.1016/j.bmcl.2006.06.062 Metabotropic glutamate receptor 8 3
16828551 10.1016/j.bmcl.2006.06.062 Metabotropic glutamate receptor 3 1
16828551 10.1016/j.bmcl.2006.06.062 Metabotropic glutamate receptor 1 1
16828551 10.1016/j.bmcl.2006.06.062 Metabotropic glutamate receptor 2 1
16828551 10.1016/j.bmcl.2006.06.062 Metabotropic glutamate receptor 5 1
16828551 10.1016/j.bmcl.2006.06.062 Metabotropic glutamate receptor 6 1
16828551 10.1016/j.bmcl.2006.06.062 Metabotropic glutamate receptor 7 1

Data from ChEMBL 36 via Core Engine