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Compound Detail

CHEMBL1480605

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Cc1noc(/C=C/Nc2ccc(F)cc2F)c1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL1480605
Phase Preclinical
Structure Type MOL
InChI Key WVZZHZDFKZVJES-SNAWJCMRSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

281.2
MW (Da)
3.25
ALogP
5
HBA
1
HBD
81.2
PSA (Ų)
0.69
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 C12H9F2N3O3
MW 281.22
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.02

Activity Summary

IC50 2 meas. best 4.56
EC50 1 meas. best 5.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear factor NF-kappa-B complex
CHEMBL2094258
EC50 5.63 5.63 2357.0 1
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.56 4.505 27500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine