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Compound Detail

CHEMBL3134405

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O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3134405
Phase Preclinical
Structure Type MOL
InChI Key JJQYADUMZGPKJC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

321.7
MW (Da)
3.41
ALogP
5
HBA
1
HBD
115.4
PSA (Ų)
0.68
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 C13H8ClN3O5
MW 321.68
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.92

Literature References

PubMed DOI Target Context # Activities
24363888 10.1039/c3md00238a Unchecked 1
24363888 10.1039/c3md00238a DNA topoisomerase 2-alpha 1
24363888 10.1039/c3md00238a Escherichia coli 1
24363888 10.1039/c3md00238a Bacillus subtilis 1
24363888 10.1039/c3md00238a DNA topoisomerase 1

Data from ChEMBL 36 via Core Engine