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Compound Detail

CHEMBL313910

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CC(OCc1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)C(=O)O

Basic Information

ChEMBL ID CHEMBL313910
Phase Preclinical
Structure Type MOL
InChI Key VLNJERKNWWNNEI-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.2
MW (Da)
0.94
ALogP
8
HBA
3
HBD
155.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11N3O7
MW 309.23
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.80

Activity Summary

IC50 2 meas. best 6.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 6.38 6.38 420.0 1
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10021939 10.1016/s0960-894x(98)00720-3 Glutamate receptor ionotropic, AMPA 1
10021939 10.1016/s0960-894x(98)00720-3 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine