Compound Detail
CHEMBL4647979
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CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cccc(C(N)=O)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL4647979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMXIZGOTPZWDER-JYOBDFOLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1154.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 CHEMBL2069156 | IC50 | 5.23 | 5.23 | 5878.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 | IC50 | = | 5900.0 | nM | 5.23 | Displacement of AF647-9-mer ETGE peptide from recombinant human biotinylated KEA... | 32435379 |
| Kelch-like ECH-associated protein 1 | IC50 | = | 5878.0 | nM | 5.23 | Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) incubated for... | 33065433 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32435379 | 10.1021/acsmedchemlett.9b00594 | Kelch-like ECH-associated protein 1 | 1 |
| 33065433 | 10.1016/j.bmc.2020.115738 | Kelch-like ECH-associated protein 1 | 1 |
Data from ChEMBL 36 via Core Engine