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Compound Detail

CHEMBL5429955

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O=[N+]([O-])c1ccc(/C=N/N=C/c2ccco2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5429955
Phase Preclinical
Structure Type MOL
InChI Key ZGMLBZYISUQBET-UQNWOCKMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

243.2
MW (Da)
2.64
ALogP
5
HBA
0
HBD
81.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9N3O3
MW 243.22
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.58

Literature References

PubMed DOI Target Context # Activities
37859713 10.1039/d3md00220a Leishmania major 2
37859713 10.1039/d3md00220a Leishmania donovani 2
37859713 10.1039/d3md00220a Trypanosoma cruzi 2
37859713 10.1039/d3md00220a Vero 1

Data from ChEMBL 36 via Core Engine