Compound Detail
CHEMBL5273301
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CCOc1ccc(S(=O)(=O)Nc2cc3c(C(=O)NO)cn(S(=O)(=O)c4ccc(OCC)cc4)c3c3ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL5273301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHJCLYVCHFGTKZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
609.7
MW (Da)
4.75
ALogP
9
HBA
3
HBD
153.0
PSA (Ų)
0.15
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Keap1/Nrf2 CHEMBL3038498 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Keap1/Nrf2 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human Keap1-Nrf2 protein-protein interaction by fluorescence polar... | 32668381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32668381 | 10.1016/j.ejmech.2020.112532 | Keap1/Nrf2 | 1 |
Data from ChEMBL 36 via Core Engine