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Compound Detail

CHEMBL2262151

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Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)o1

Basic Information

ChEMBL ID CHEMBL2262151
Phase Preclinical
Structure Type MOL
InChI Key KHEXNGOALSVQCJ-VMPITWQZSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

257.2
MW (Da)
3.39
ALogP
4
HBA
0
HBD
73.3
PSA (Ų)
0.36
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 C14H11NO4
MW 257.24
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.97

Activity Summary

IC50 2 meas. best 4.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
IC50 4.84 4.84 14454.4 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-011-9706-1 RAW264.7 2

Data from ChEMBL 36 via Core Engine