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Compound Detail

CHEMBL3601315

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CC(=O)Nc1ccccc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3601315
Phase Preclinical
Structure Type MOL
InChI Key BUNFNRVLMKHKIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

180.2
MW (Da)
1.55
ALogP
3
HBA
1
HBD
72.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H8N2O3
MW 180.16
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.92

Literature References

PubMed DOI Target Context # Activities
26164623 10.1016/j.bmc.2015.06.002 NON-PROTEIN TARGET 1
26164623 10.1016/j.bmc.2015.06.002 SK-OV-3 1
26164623 10.1016/j.bmc.2015.06.002 OVCAR-3 1
29885575 10.1016/j.ejmech.2018.06.001 No relevant target 1
29885575 10.1016/j.ejmech.2018.06.001 Leishmania infantum 1
29885575 10.1016/j.ejmech.2018.06.001 HepG2 1
29885575 10.1016/j.ejmech.2018.06.001 Trypanosoma brucei brucei 1

Data from ChEMBL 36 via Core Engine