Compound Detail
CHEMBL59451
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Basic Information
| ChEMBL ID | CHEMBL59451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEBCAMAQXZIVRE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.3
MW (Da)
1.88
ALogP
8
HBA
6
HBD
139.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
| Protein kinase C gamma type CHEMBL2938 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Protein kinase C (PKC) CHEMBL2094266 | IC50 | 4.01 | 4.01 | 98000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 43000.0 | nM | 4.37 | Inhibition of protein kinase C alpha | 8289196 |
| Protein kinase C gamma type | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of protein kinase C gamma | 8289196 |
| Protein kinase C (PKC) | IC50 | = | 98000.0 | nM | 4.01 | 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) | 1 |
| 8289196 | 10.1021/jm00027a025 | Unchecked | 1 |
| 8289196 | 10.1021/jm00027a025 | Protein kinase C alpha type | 1 |
| 8289196 | 10.1021/jm00027a025 | Protein kinase C gamma type | 1 |
Data from ChEMBL 36 via Core Engine