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Compound Detail

CHEMBL315416

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NC(Cc1c(O)noc1-c1ccc(Br)o1)C(=O)O

Basic Information

ChEMBL ID CHEMBL315416
Phase Preclinical
Structure Type MOL
InChI Key CVNYHDJGQSKJMX-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

317.1
MW (Da)
1.36
ALogP
6
HBA
3
HBD
122.7
PSA (Ų)
0.78
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 C10H9BrN2O5
MW 317.10
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.30

Activity Summary

EC50 1 meas.
IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9651156 10.1021/jm9801206 Glutamate receptor ionotropic, AMPA 2
9651156 10.1021/jm9801206 Glutamate receptor ionotropic, kainate 1
9651156 10.1021/jm9801206 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine