Compound Detail
CHEMBL566424
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Basic Information
| ChEMBL ID | CHEMBL566424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRZURBBBXNHUNO-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
429.6
MW (Da)
4.37
ALogP
5
HBA
1
HBD
54.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C beta type CHEMBL3045 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 6.74 | 6.74 | 183.0 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 6.59 | 6.59 | 255.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 6.54 | 6.54 | 285.0 | 1 |
| Protein kinase C eta type CHEMBL3616 | IC50 | 6.53 | 6.53 | 293.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C beta type | IC50 | = | 47.0 | nM | 7.33 | Inhibition of PKCbeta1 by SPA | 19827831 |
| Protein kinase C alpha type | IC50 | = | 73.0 | nM | 7.14 | Inhibition of PKCalpha by SPA | 19827831 |
| Protein kinase C delta type | IC50 | = | 183.0 | nM | 6.74 | Inhibition of PKCdelta by SPA | 19827831 |
| Protein kinase C theta type | IC50 | = | 255.0 | nM | 6.59 | Inhibition of PKCtheta by SPA | 19827831 |
| Protein kinase C epsilon type | IC50 | = | 285.0 | nM | 6.54 | Inhibition of PKCepsilon by SPA | 19827831 |
| Protein kinase C eta type | IC50 | = | 293.0 | nM | 6.53 | Inhibition of PKCeta by SPA | 19827831 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19827831 | 10.1021/jm901108b | Protein kinase C beta type | 1 |
| 19827831 | 10.1021/jm901108b | Protein kinase C delta type | 1 |
| 19827831 | 10.1021/jm901108b | Protein kinase C theta type | 1 |
| 19827831 | 10.1021/jm901108b | Protein kinase C alpha type | 1 |
| 19827831 | 10.1021/jm901108b | Protein kinase C eta type | 1 |
| 19827831 | 10.1021/jm901108b | Protein kinase C epsilon type | 1 |
Data from ChEMBL 36 via Core Engine