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Compound Detail

CHEMBL4872421

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

Basic Information

ChEMBL ID CHEMBL4872421
Phase Preclinical
Structure Type MOL
InChI Key XTGQIXWPHQOCGD-RMKNXTFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

180.2
MW (Da)
1.15
ALogP
3
HBA
0
HBD
69.2
PSA (Ų)
0.23
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
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 -0.73

Literature References

PubMed DOI Target Context # Activities
34531949 10.1021/acsmedchemlett.1c00193 Leishmania amazonensis 2
34531949 10.1021/acsmedchemlett.1c00193 Leishmania infantum 2
34531949 10.1021/acsmedchemlett.1c00193 ADMET 2
34531949 10.1021/acsmedchemlett.1c00193 Peritoneal macrophage 1
34531949 10.1021/acsmedchemlett.1c00193 No relevant target 1

Data from ChEMBL 36 via Core Engine