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Compound Detail

CHEMBL5187642

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O=C(Cc1cc(=O)oc2c([N+](=O)[O-])cccc12)Nc1nc2ccccc2[nH]1

Basic Information

ChEMBL ID CHEMBL5187642
Phase Preclinical
Structure Type MOL
InChI Key UHZYHGWJQBLDDX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.3
MW (Da)
2.76
ALogP
6
HBA
2
HBD
131.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12N4O5
MW 364.32
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.18

Activity Summary

EC50 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
EC50 7.1 7.1 80.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target EC50 = 80.0 nM 7.1 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