Compound Detail
CHEMBL584726
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CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1
Basic Information
| ChEMBL ID | CHEMBL584726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZLKYCWHZQUSFJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
505.8
MW (Da)
7.79
ALogP
3
HBA
2
HBD
59.0
PSA (Ų)
0.38
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.64 | 5.64 | 2278.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 2278.0 | nM | 5.64 | Inhibition Assay: Zero point five μL of the test compounds (dissolved in N,N′-di... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19928858 | 10.1021/jm901297e | Mitogen-activated protein kinase 14 | 2 |
| 19396179 | 10.1038/nchembio.162 | Proto-oncogene tyrosine-protein kinase Src | 2 |
| 19396179 | 10.1038/nchembio.162 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine