Compound Detail
CHEMBL3975863
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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](N)CC(C)C)[C@@H](C)O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3975863 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | DVWKFFZWZFQBNS-RPSZKARGSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1051.1
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.45
Kd 1 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 CHEMBL2069156 | Kd | 6.45 | 6.45 | 355.0 | 1 |
| Kelch-like ECH-associated protein 1 CHEMBL2069156 | IC50 | 5.45 | 5.45 | 3570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 | Kd | = | 355.0 | nM | 6.45 | Binding affinity to recombinant human Keap1 Kelch domain (321 to 609 residues) e... | 27690435 |
| Kelch-like ECH-associated protein 1 | IC50 | = | 3570.0 | nM | 5.45 | Inhibition of recombinant human Keap1 Kelch domain (321 to 609 residues) express... | 27690435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27690435 | 10.1021/acs.jmedchem.6b00586 | Kelch-like ECH-associated protein 1 | 2 |
Data from ChEMBL 36 via Core Engine