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Compound Detail

CHEMBL3347590

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O=[N+]([O-])c1ccc2[nH]cc(C(c3ccc(Cl)cc3)c3c[nH]c4ccc([N+](=O)[O-])cc34)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3347590
Phase Preclinical
Structure Type MOL
InChI Key UPCXVHUSMARNNL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

446.9
MW (Da)
6.30
ALogP
4
HBA
2
HBD
117.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15ClN4O4
MW 446.85
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C2MD20098H MCF7 1
- 10.1039/C2MD20098H HeLa 1
- 10.1039/C2MD20098H A549 1

Data from ChEMBL 36 via Core Engine