Compound Detail
CHEMBL3632703
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COc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)c3ccccc23)cc1OC
Basic Information
| ChEMBL ID | CHEMBL3632703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGCDUXFZWNURGR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
558.6
MW (Da)
4.48
ALogP
8
HBA
2
HBD
129.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Keap1/Nrf2 CHEMBL3038498 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Keap1/Nrf2 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Keap1-NRF2 interaction (unknown origin) expressed in Escherichia c... | 26363505 |
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 |
Data from ChEMBL 36 via Core Engine