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Compound Detail

CHEMBL512058

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Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2O)c([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL512058
Phase Preclinical
Structure Type MOL
InChI Key ILZBTXJTJLPKLA-UHFFFAOYSA-N
0
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.3
MW (Da)
2.77
ALogP
6
HBA
2
HBD
135.6
PSA (Ų)
0.66
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 C14H11N3O6
MW 317.26
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.45

Activity Summary

IC50 2 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
19072688 10.1021/jm8008019 Thermolysin 5

Data from ChEMBL 36 via Core Engine