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Compound Detail

CHEMBL88184

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N[C@@H](Cc1cc(O)no1)C(=O)O

Basic Information

ChEMBL ID CHEMBL88184
Phase Preclinical
Structure Type MOL
InChI Key PEHXWVXZPICGAV-BYPYZUCNSA-N
1
Targets
10
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

172.1
MW (Da)
-0.67
ALogP
5
HBA
3
HBD
109.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H8N2O4
MW 172.14
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.01

Activity Summary

EC50 4 meas.
Ki 4 meas.
IC50 2 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 6.1 6.1 800.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10893301 10.1021/jm000007r Metabotropic glutamate receptor 4 1
12213064 10.1021/jm020122x Metabotropic glutamate receptor 4 1
11297452 10.1021/jm000441t Metabotropic glutamate receptor 4 1
11297452 10.1021/jm000441t Metabotropic glutamate receptor 2 1
11297452 10.1021/jm000441t Metabotropic glutamate receptor 5 1
11297452 10.1021/jm000441t Metabotropic glutamate receptor 1 1
11297452 10.1021/jm000441t Rattus norvegicus 1
11297452 10.1021/jm000441t Glutamate receptor ionotropic, kainate 1
11297452 10.1021/jm000441t Glutamate NMDA receptor 1
11297452 10.1021/jm000441t Glutamate receptor ionotropic, AMPA 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 5 1
11831912 10.1021/jm010443t Glutamate NMDA receptor 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 2 1
10893301 10.1021/jm000007r Metabotropic glutamate receptor 1 1
11831912 10.1021/jm010443t Metabotropic glutamate receptor 2 1
11831912 10.1021/jm010443t Metabotropic glutamate receptor 4 1
11831912 10.1021/jm010443t Metabotropic glutamate receptor 5 1
11831912 10.1021/jm010443t Metabotropic glutamate receptor 1 1
11831912 10.1021/jm010443t Rattus norvegicus 1
11831912 10.1021/jm010443t Glutamate receptor ionotropic, kainate 1 1

Data from ChEMBL 36 via Core Engine