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Compound Detail

CHEMBL5200921

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O=c1cc(Cc2nc3ccccc3[nH]2)c2cccc([N+](=O)[O-])c2o1

Basic Information

ChEMBL ID CHEMBL5200921
Phase Preclinical
Structure Type MOL
InChI Key UYQPUGDWZPVPSR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
3.17
ALogP
5
HBA
1
HBD
102.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11N3O4
MW 321.29
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.03

Activity Summary

EC50 1 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
EC50 6.77 6.77 170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target EC50 = 170.0 nM 6.77 Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... 34715585

Literature References

PubMed DOI Target Context # Activities
34715585 10.1016/j.ejmech.2021.113921 No relevant target 1

Data from ChEMBL 36 via Core Engine