Compound Detail
CHEMBL461756
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CCCCC(CC)C(=O)OCC1(CO)C/C(=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL461756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAZFNSWZKAZYBC-APSNUPSMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
496.4
MW (Da)
5.55
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL2567 | Ki | 7.76 | 7.76 | 17.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 17.3 | nM | 7.76 | Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting | 18698758 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18698758 | 10.1021/jm8001907 | Protein kinase C alpha type | 1 |
Data from ChEMBL 36 via Core Engine