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Compound Detail

CHEMBL4795570

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COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4795570
Phase Preclinical
Structure Type MOL
InChI Key MOPLKLOVAQZSHL-XYOKQWHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.3
MW (Da)
2.85
ALogP
6
HBA
2
HBD
125.5
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 C17H13N3O5
MW 339.31
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
32283296 10.1016/j.ejmech.2020.112267 Casein kinase II subunit alpha 1

Data from ChEMBL 36 via Core Engine