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Compound Detail

CHEMBL3347614

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

Basic Information

ChEMBL ID CHEMBL3347614
Phase Preclinical
Structure Type MOL
InChI Key FYDLSIKNOHQZKF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

491.3
MW (Da)
6.41
ALogP
4
HBA
2
HBD
117.9
PSA (Ų)
0.22
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 C23H15BrN4O4
MW 491.30
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C2MD20098H MCF7 1
- 10.1039/C2MD20098H HeLa 1
- 10.1039/C2MD20098H A549 1
28377058 10.1016/j.bmcl.2017.03.070 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine