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Compound Detail

CHEMBL5219586

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O=C(NC(C(=O)O)c1ccccc1)c1cccc2c1-c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5219586
Phase Preclinical
Structure Type MOL
InChI Key JJNHPDOJBUAQDZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
3.45
ALogP
3
HBA
2
HBD
83.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15NO4
MW 357.37
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.27

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