Compound Detail
CHEMBL2153747
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Basic Information
| ChEMBL ID | CHEMBL2153747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFPUIOYUZROFHG-UHFFFAOYSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
3.04
ALogP
5
HBA
2
HBD
81.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 7.14 | 7.14 | 72.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
| Protein kinase C eta type CHEMBL3616 | IC50 | 6.93 | 6.93 | 118.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.24 | 6.24 | 575.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 3.6 | nM | 8.44 | Inhibition of PKCalpha by scintillation proximity assay | 21797275 |
| Protein kinase C beta type | IC50 | = | 5.2 | nM | 8.28 | Inhibition of PKCbeta-1 by scintillation proximity assay | 21797275 |
| Protein kinase C delta type | IC50 | = | 27.0 | nM | 7.57 | Inhibition of PKCdelta by scintillation proximity assay | 21797275 |
| Protein kinase C theta type | IC50 | = | 31.0 | nM | 7.51 | Inhibition of PKCtheta by scintillation proximity assay | 21797275 |
| Protein kinase C epsilon type | IC50 | = | 72.0 | nM | 7.14 | Inhibition of PKCepsilon by scintillation proximity assay | 21797275 |
| Jurkat | IC50 | = | 79.0 | nM | 7.1 | Inhibition of human Jurkat cell activation assessed as TCR/CD28 stimulated inhib... | 21797275 |
| Protein kinase C eta type | IC50 | = | 118.0 | nM | 6.93 | Inhibition of PKCeta by scintillation proximity assay | 21797275 |
| NON-PROTEIN TARGET | IC50 | = | 575.0 | nM | 6.24 | Immunosuppressive activity in mouse lymphocytes assessed as alloantigen-induced ... | 21797275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21797275 | 10.1021/jm200469u | NON-PROTEIN TARGET | 2 |
| 21797275 | 10.1021/jm200469u | Protein kinase C alpha type | 1 |
| 21797275 | 10.1021/jm200469u | Protein kinase C beta type | 1 |
| 21797275 | 10.1021/jm200469u | Protein kinase C delta type | 1 |
| 21797275 | 10.1021/jm200469u | Protein kinase C epsilon type | 1 |
| 21797275 | 10.1021/jm200469u | Protein kinase C eta type | 1 |
| 21797275 | 10.1021/jm200469u | Protein kinase C theta type | 1 |
| 21797275 | 10.1021/jm200469u | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine