Compound Detail
CHEMBL5556774
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COc1ccc(S(=O)(=O)Nc2ccc(N(CC(N)=O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL5556774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGYGFQFSIPMBHW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
555.6
MW (Da)
3.34
ALogP
7
HBA
2
HBD
145.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Keap1/Nrf2 CHEMBL3038498 | IC50 | 7.59 | 7.59 | 25.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Keap1/Nrf2 | IC50 | = | 25.7 | nM | 7.59 | Inhibition of human Keap1 KELCH domain (321 to 609 residues) expressed in Escher... | 38043492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38043492 | 10.1016/j.ejmech.2023.115998 | Keap1/Nrf2 | 1 |
| 38043492 | 10.1016/j.ejmech.2023.115998 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine