Compound Detail
CHEMBL217600
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CCOC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1-c1c(C(=O)OCC)cc(OCc2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL217600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSJRLHZLEFNPLR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
935.1
MW (Da)
13.18
ALogP
10
HBA
0
HBD
108.0
PSA (Ų)
0.06
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Protein kinase C (PKC) CHEMBL2094266 | IC50 | 4.3 | 4.1467 | 50000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of c-AMP dependent kinase (PKA) catalytic subunit | 8289196 |
| Protein kinase C (PKC) | IC50 | = | 50000.0 | nM | 4.3 | Inhibitory activity against protein kinase C of rat brain | 8289196 |
| Protein kinase C (PKC) | IC50 | = | 75000.0 | nM | 4.12 | Inhibitory activity against protein kinase C of rat brain | 8289196 |
| Protein kinase C (PKC) | IC50 | = | 96000.0 | nM | 4.02 | Inhibitory activity against protein kinase C of rat brain | 8289196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8289196 | 10.1021/jm00027a025 | Protein kinase C (PKC) | 4 |
| 8289196 | 10.1021/jm00027a025 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine