Compound Detail
CHEMBL466211
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O=C(OCc1cccc(C(F)(F)F)c1)c1cc(CO)cc(C(=O)OCc2cccc(C(F)(F)F)c2)c1
Basic Information
| ChEMBL ID | CHEMBL466211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLYSKMGKJANIPC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
512.4
MW (Da)
5.93
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | Ki | 6.69 | 6.69 | 205.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | Ki | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 205.0 | nM | 6.69 | Displacement of [3H]PDBu from human recombinant PKCalpha expressed in Sf9 cells ... | 19438240 |
| Protein kinase C delta type | Ki | = | 590.0 | nM | 6.23 | Displacement of [3H]PDBu from human recombinant PKCdelta expressed in Sf9 cells ... | 19438240 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37010933 | 10.1021/acs.jmedchem.2c01448 | Unchecked | 4 |
| 19438240 | 10.1021/jm900229p | Protein kinase C alpha type | 2 |
| 19438240 | 10.1021/jm900229p | Protein kinase C delta type | 2 |
| 19438240 | 10.1021/jm900229p | Protein kinase C (PKC) | 2 |
Data from ChEMBL 36 via Core Engine