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Compound Detail

CHEMBL1333704

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Cc1cc(C(=O)Nc2cnc(O)nc2O)ccc1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL1333704
Phase Preclinical
Structure Type MOL
InChI Key UFFGDKGPWIPDDI-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

290.2
MW (Da)
1.36
ALogP
7
HBA
3
HBD
138.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N4O5
MW 290.24
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.59

Activity Summary

IC50 2 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Krueppel-like factor 10
CHEMBL3407312
IC50 5.0 5.0 10000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25581017 10.1021/jm5018187 Krueppel-like factor 10 2

Data from ChEMBL 36 via Core Engine