Compound Detail
CHEMBL585500
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Basic Information
| ChEMBL ID | CHEMBL585500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMYFYCSCELQGHP-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
2.49
ALogP
4
HBA
2
HBD
68.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Protein kinase C eta type CHEMBL3616 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 7.01 | 7.01 | 97.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.56 | 6.56 | 277.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 7.1 | nM | 8.15 | Inhibition of PKCalpha by SPA | 19827831 |
| Protein kinase C eta type | IC50 | = | 36.0 | nM | 7.44 | Inhibition of PKCeta by SPA | 19827831 |
| Protein kinase C beta type | IC50 | = | 36.0 | nM | 7.44 | Inhibition of PKCbeta1 by SPA | 19827831 |
| Protein kinase C epsilon type | IC50 | = | 59.0 | nM | 7.23 | Inhibition of PKCepsilon by SPA | 19827831 |
| Protein kinase C theta type | IC50 | = | 76.0 | nM | 7.12 | Inhibition of PKCtheta by SPA | 19827831 |
| Protein kinase C delta type | IC50 | = | 97.0 | nM | 7.01 | Inhibition of PKCdelta by SPA | 19827831 |
| Unchecked | IC50 | = | 277.0 | nM | 6.56 | 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 | 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 |
| 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 delta type | 1 |
| 19827831 | 10.1021/jm901108b | Unchecked | 1 |
| 19827831 | 10.1021/jm901108b | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine