Compound Detail
CHEMBL2402205
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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2402205 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LUWNQRCIIOOCLS-ITDBXDHNSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1858.0
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.48
Kd 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Keap1/Nrf2 CHEMBL3038498 | Kd | 7.54 | 7.54 | 28.7 | 1 |
| Kelch-like ECH-associated protein 1 CHEMBL2069156 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Keap1/Nrf2 | Kd | = | 28.7 | nM | 7.54 | Binding affinity to Keap1/Nrf2 complex (unknown origin) by fluorescence polariza... | 25937010 |
| Kelch-like ECH-associated protein 1 | IC50 | = | 33.0 | nM | 7.48 | Displacement of MR121-Nrf2 from human N-terminal His-tagged Kelch-DC domain of K... | 23647822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23647822 | 10.1016/j.bmc.2013.04.019 | Kelch-like ECH-associated protein 1 | 1 |
| 25937010 | 10.1016/j.bmcl.2015.04.019 | Keap1/Nrf2 | 1 |
Data from ChEMBL 36 via Core Engine