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Compound Detail

CHEMBL4875783

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Cc1ccc(C(C)C)cc1OC(=O)Cn1c([N+](=O)[O-])cnc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4875783
Phase Preclinical
Structure Type MOL
InChI Key NGXZCODUQDNNQR-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
3.14
ALogP
6
HBA
0
HBD
87.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N3O4
MW 317.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.39

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
33234343 10.1016/j.ejmech.2020.112994 Helicobacter pylori 2
33234343 10.1016/j.ejmech.2020.112994 Clostridium perfringens 1
38830427 10.1016/j.bmcl.2024.129826 Clostridium perfringens 1

Data from ChEMBL 36 via Core Engine