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Compound Detail

CHEMBL112402

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NC(Cc1c(O)noc1CO)C(=O)O

Basic Information

ChEMBL ID CHEMBL112402
Phase Preclinical
Structure Type MOL
InChI Key INULNDODUCRGHF-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

202.2
MW (Da)
-1.17
ALogP
6
HBA
4
HBD
129.8
PSA (Ų)
0.48
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 C7H10N2O5
MW 202.17
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.69

Activity Summary

EC50 1 meas.
IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7523673 10.1021/jm00046a009 Glutamate NMDA receptor 2
7523673 10.1021/jm00046a009 Glutamate receptor ionotropic, AMPA 1
7523673 10.1021/jm00046a009 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine