Compound Detail
CHEMBL5286485
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Basic Information
| ChEMBL ID | CHEMBL5286485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRCYEUOLXYXORC-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
3.75
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Keap1/Nrf2 CHEMBL3038498 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Keap1/Nrf2 | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of Nrf2-Keap1 Kelch domain (unknown origin) protein-protein interacti... | 37197451 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37197451 | 10.1021/acsmedchemlett.3c00067 | Kelch-like ECH-associated protein 1 | 3 |
| 37197451 | 10.1021/acsmedchemlett.3c00067 | Keap1/Nrf2 | 1 |
Data from ChEMBL 36 via Core Engine