Compound Detail
CHEMBL565632
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Basic Information
| ChEMBL ID | CHEMBL565632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVCIQKJLZNEUAZ-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
7
PK Parameters
8
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
3.83
ALogP
4
HBA
2
HBD
74.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C beta type CHEMBL3045 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
| Protein kinase C eta type CHEMBL3616 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.16 | 7.16 | 69.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2694.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 154.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 30.9 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 38.07 | nM | Rattus norvegicus |
| F | 1.0 | % | Rattus norvegicus |
| T1/2 | 20.6 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C beta type | IC50 | = | 2.1 | nM | 8.68 | Inhibition of PKCbeta1 by SPA | 19827831 |
| Protein kinase C alpha type | IC50 | = | 2.2 | nM | 8.66 | Inhibition of PKCalpha by SPA | 19827831 |
| Protein kinase C theta type | IC50 | = | 3.3 | nM | 8.48 | Inhibition of PKCtheta by SPA | 19827831 |
| Protein kinase C delta type | IC50 | = | 4.4 | nM | 8.36 | Inhibition of PKCdelta by SPA | 19827831 |
| Protein kinase C epsilon type | IC50 | = | 5.5 | nM | 8.26 | Inhibition of PKCepsilon by SPA | 19827831 |
| Protein kinase C eta type | IC50 | = | 11.0 | nM | 7.96 | Inhibition of PKCeta by SPA | 19827831 |
| Unchecked | IC50 | = | 69.0 | nM | 7.16 | Inhibition of TCR/CD28-mediated human T cell activation in Jurkat cells expressi... | 19827831 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19827831 | 10.1021/jm901108b | Rattus norvegicus | 8 |
| 19827831 | 10.1021/jm901108b | Protein kinase C beta 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 delta type | 1 |
| 19827831 | 10.1021/jm901108b | Protein kinase C epsilon type | 1 |
| 19827831 | 10.1021/jm901108b | Protein kinase C eta type | 1 |
| 19827831 | 10.1021/jm901108b | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine