Compound Detail
CHEMBL5285536
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CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)CC[C@@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(N)=O)NC(=O)CNC1=O
Basic Information
| ChEMBL ID | CHEMBL5285536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEYLEFUBCXEKAO-OZQOVSETSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
2540.9
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Kd 1 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 CHEMBL2069156 | Kd | 7.32 | 7.32 | 48.0 | 1 |
| Keap1/Nrf2 CHEMBL3038498 | IC50 | 6.82 | 6.82 | 153.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 | Kd | = | 48.0 | nM | 7.32 | Binding affinity to human KEAP1 by fluorescence polarization assay | 32668381 |
| Keap1/Nrf2 | IC50 | = | 153.0 | nM | 6.82 | 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 |
| 32668381 | 10.1016/j.ejmech.2020.112532 | Kelch-like ECH-associated protein 1 | 1 |
Data from ChEMBL 36 via Core Engine