Compound Detail
CHEMBL4639835
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CC(C)(O)C#Cc1cccc2c1CCN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)O)[C@@H]2CN1C(=O)c2ccccc2C1=O
Basic Information
| ChEMBL ID | CHEMBL4639835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAPBBTABFXSWPX-UODIDJSMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
3.42
ALogP
5
HBA
2
HBD
115.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 CHEMBL2069156 | IC50 | 5.33 | 5.33 | 4682.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 | IC50 | = | 4682.0 | nM | 5.33 | Displacement of AF647-9-mer ETGE peptide from recombinant human biotinylated KEA... | 32435379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32435379 | 10.1021/acsmedchemlett.9b00594 | Kelch-like ECH-associated protein 1 | 1 |
Data from ChEMBL 36 via Core Engine