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Compound Detail

CHEMBL60238

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N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2)C1

Basic Information

ChEMBL ID CHEMBL60238
Phase Preclinical
Structure Type MOL
InChI Key LYCSUAGKQMUTBR-ZWNOBZJWSA-N
2
Targets
7
Activities
3
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
0.13
ALogP
4
HBA
3
HBD
103.9
PSA (Ų)
0.71
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 C13H16N2O4
MW 264.28
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.01

Activity Summary

IC50 3 meas.
Ki 3 meas. best 4.7
EC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 6
CHEMBL3842
EC50 4.7 4.7 20000.0 1
Metabotropic glutamate receptor 6
CHEMBL4573
Ki 4.7 4.7 20000.0 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 2
9873471 10.1016/s0960-894x(98)00352-7 Metabotropic glutamate receptor 5 2
9873471 10.1016/s0960-894x(98)00352-7 Metabotropic glutamate receptor 2 2
9873471 10.1016/s0960-894x(98)00352-7 Metabotropic glutamate receptor 3 2
9873471 10.1016/s0960-894x(98)00352-7 Metabotropic glutamate receptor 4 2
9873471 10.1016/s0960-894x(98)00352-7 Metabotropic glutamate receptor 8 2
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 5 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 6 1
- 10.1016/S0960-894X(97)00068-1 Metabotropic glutamate receptor 1 1
- 10.1016/S0960-894X(97)00068-1 Metabotropic glutamate receptor 5 1
- 10.1016/S0960-894X(97)00068-1 Metabotropic glutamate receptor 2 1
- 10.1016/S0960-894X(97)00068-1 Metabotropic glutamate receptor 6 1

Data from ChEMBL 36 via Core Engine