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Compound Detail

CHEMBL4456172

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COc1ccc(/C=[N+](\[O-])C(C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4456172
Phase Preclinical
Structure Type MOL
InChI Key ORMAPJWECRKKAC-LCYFTJDESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

207.3
MW (Da)
2.42
ALogP
2
HBA
0
HBD
35.3
PSA (Ų)
0.32
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 C12H17NO2
MW 207.27
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.23

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
38218126 10.1016/j.ejmech.2024.116133 Neuron 2

Data from ChEMBL 36 via Core Engine