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Compound Detail

CHEMBL4163695

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Nc1ccc2cccnc2c1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4163695
Phase Preclinical
Structure Type MOL
InChI Key UBEVPUVWSNZVHZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

189.2
MW (Da)
1.73
ALogP
4
HBA
1
HBD
82.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H7N3O2
MW 189.17
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
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