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Compound Detail

CHEMBL5218736

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COc1cccc(C(NC(=O)c2cccc3c2-c2ccccc2C3=O)C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5218736
Phase Preclinical
Structure Type MOL
InChI Key ZFPUMPDFYUOFDK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
3.46
ALogP
4
HBA
2
HBD
92.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17NO5
MW 387.39
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.34

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
36263945 10.1021/acs.jmedchem.2c00830 Keap1/Nrf2 1

Data from ChEMBL 36 via Core Engine