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Compound Detail

CHEMBL292553

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N[C@]1(C(=O)O)C[C@H](C(=O)O)N(CCc2ccccc2)C1

Basic Information

ChEMBL ID CHEMBL292553
Phase Preclinical
Structure Type MOL
InChI Key IMJOFZFQWDCAMA-BXUZGUMPSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
0.17
ALogP
4
HBA
3
HBD
103.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N2O4
MW 278.31
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.13

Activity Summary

IC50 2 meas. best 4.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL5137
IC50 4.21 4.21 61000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9873471 10.1016/s0960-894x(98)00352-7 Metabotropic glutamate receptor 1 1
9873471 10.1016/s0960-894x(98)00352-7 Metabotropic glutamate receptor 5 1
9873471 10.1016/s0960-894x(98)00352-7 Metabotropic glutamate receptor 2 1
9873471 10.1016/s0960-894x(98)00352-7 Metabotropic glutamate receptor 3 1
9873471 10.1016/s0960-894x(98)00352-7 Metabotropic glutamate receptor 4 1
9873471 10.1016/s0960-894x(98)00352-7 Metabotropic glutamate receptor 8 1

Data from ChEMBL 36 via Core Engine