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Compound Detail

CHEMBL315268

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Cc1onc(O)c1CC[C@H](N)C(=O)O

Basic Information

ChEMBL ID CHEMBL315268
Phase Preclinical
Structure Type MOL
InChI Key NZDIZJGEDFARSV-LURJTMIESA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names

Molecular Properties

200.2
MW (Da)
0.03
ALogP
5
HBA
3
HBD
109.6
PSA (Ų)
0.63
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 C8H12N2O4
MW 200.19
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.10

Activity Summary

EC50 1 meas. best 4.24
Ki 1 meas. best 4.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 6
CHEMBL3842
EC50 4.24 4.24 58000.0 1
Metabotropic glutamate receptor 6
CHEMBL4573
Ki 4.24 4.24 58000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10893301 10.1021/jm000007r Metabotropic glutamate receptor 3 1
12213064 10.1021/jm020122x Metabotropic glutamate receptor 4 1
12213064 10.1021/jm020122x Metabotropic glutamate receptor 2 1
12213064 10.1021/jm020122x Metabotropic glutamate receptor 5 1
12213064 10.1021/jm020122x Metabotropic glutamate receptor 1 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 7 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 6 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 5 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 4 1
9357538 10.1021/jm9703597 Metabotropic glutamate receptor 1 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 2 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 1 1
9357538 10.1021/jm9703597 Metabotropic glutamate receptor 7 1
9357538 10.1021/jm9703597 Metabotropic glutamate receptor 6 1
9357538 10.1021/jm9703597 Metabotropic glutamate receptor 5 1
9357538 10.1021/jm9703597 Metabotropic glutamate receptor 4 1
9357538 10.1021/jm9703597 Metabotropic glutamate receptor 3 1
9357538 10.1021/jm9703597 Metabotropic glutamate receptor 2 1

Data from ChEMBL 36 via Core Engine