Compound Detail
CHEMBL3237244
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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(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](C)O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3237244 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | WHORBCNXCLZUFL-HDFZMCSMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1440.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 CHEMBL2069156 | Kd | 7.8 | 7.695 | 15.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 | Kd | = | 15.8 | nM | 7.8 | Binding affinity to biotinylated Keap1 DC domain (unknown origin) by biolayer in... | 24512214 |
| Kelch-like ECH-associated protein 1 | Kd | = | 25.6 | nM | 7.59 | Binding affinity to recombinant human Keap1 Kelch domain (321 to 609) expressed ... | 24512214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24512214 | 10.1021/jm5000529 | Kelch-like ECH-associated protein 1 | 2 |
Data from ChEMBL 36 via Core Engine