Compound Detail
CHEMBL3632709
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COc1ccc(S(=O)(=O)N(C)c2ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL3632709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRDHRUOSFSGQHM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
526.6
MW (Da)
4.51
ALogP
6
HBA
0
HBD
93.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 CHEMBL2069156 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of FITC-9mer Nrf2 peptide interaction with human recombinant Keap1 Ke... | 32902980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26363505 | 10.1016/j.ejmech.2015.08.049 | Keap1/Nrf2 | 1 |
| 26363505 | 10.1016/j.ejmech.2015.08.049 | Kelch-like ECH-associated protein 1 | 1 |
| 32902980 | 10.1021/acs.jmedchem.0c01116 | Kelch-like ECH-associated protein 1 | 1 |
Data from ChEMBL 36 via Core Engine