Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5286321

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1ccc([C@@H](NC(=O)[C@H](F)c2ccccc2)[C@@H](C)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5286321
Phase Preclinical
Structure Type MOL
InChI Key XCZOURUJKSONKC-XYPHTWIQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.58
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20FNO3
MW 329.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.43

Activity Summary

IC50 1 meas. best 4.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Keap1/Nrf2
CHEMBL3038498
 IC50 4.05 4.05 90000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Keap1/Nrf2 IC50 = 90000.0 nM 4.05 Inhibition of Nrf2-Keap1 Kelch domain (unknown origin) protein-protein interacti... 37197451

Literature References

PubMed DOI Target Context # Activities
37197451 10.1021/acsmedchemlett.3c00067 Keap1/Nrf2 1
37197451 10.1021/acsmedchemlett.3c00067 ADMET 1

Data from ChEMBL 36 via Core Engine