Compound Detail
CHEMBL442009
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O=C1OC(CO)(COC(=O)c2ccc(-c3ccccc3)cc2)C/C1=C/c1ccc(-c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL442009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBETWSLHPCSOPT-CEUNXORHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
5.94
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | Ki | 7.64 | 7.36 | 22.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 22.7 | nM | 7.64 | Displacement of [20-3H]phorbol-12,13-dibutyrate (PDBu) from a recombinant protei... | 15163204 |
| Protein kinase C alpha type | Ki | = | 83.9 | nM | 7.08 | Displacement of [20-3H]phorbol-12,13-dibutyrate (PDBu) from a recombinant protei... | 15163204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163204 | 10.1021/jm030610k | Protein kinase C alpha type | 2 |
| 15163204 | 10.1021/jm030610k | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine