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Compound Detail

CHEMBL250731

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CC(=O)N(O)C/C=C(/c1ccc([N+](=O)[O-])cc1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL250731
Phase Preclinical
Structure Type MOL
InChI Key KUIGUARNBJHWHP-WDZFZDKYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.2
MW (Da)
1.35
ALogP
5
HBA
3
HBD
141.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N2O7P
MW 316.21
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.28

Activity Summary

IC50 1 meas. best 4.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.47 4.47 34000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 34000.0 nM 4.47 Inhibition of Escherichia coli DXR 17583502

Literature References

PubMed DOI Target Context # Activities
17583502 10.1016/j.bmcl.2007.06.026 Unchecked 1

Data from ChEMBL 36 via Core Engine