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Compound Detail

CHEMBL65005

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O=C(NO)c1cc2ccc([N+](=O)[O-])cc2nc1O

Basic Information

ChEMBL ID CHEMBL65005
Phase Preclinical
Structure Type MOL
InChI Key BVGUSSWJQYZWAJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

249.2
MW (Da)
0.97
ALogP
6
HBA
3
HBD
125.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H7N3O5
MW 249.18
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate
CHEMBL2094119
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8568808 10.1021/jm950323j Glutamate receptor ionotropic, kainate 1
8568808 10.1021/jm950323j Glutamate NMDA receptor 1
8568808 10.1021/jm950323j Unchecked 1

Data from ChEMBL 36 via Core Engine