Compound Detail
CHEMBL2153751
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CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3cc(Cl)ccc3n2)CC1
Basic Information
| ChEMBL ID | CHEMBL2153751 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOLWRJUQMXEKEO-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
472.9
MW (Da)
3.08
ALogP
6
HBA
2
HBD
94.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C delta type CHEMBL2996 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
| Protein kinase C eta type CHEMBL3616 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C delta type | IC50 | = | 1.2 | nM | 8.92 | Inhibition of PKCdelta by scintillation proximity assay | 21797275 |
| Protein kinase C theta type | IC50 | = | 1.2 | nM | 8.92 | Inhibition of PKCtheta by scintillation proximity assay | 21797275 |
| Protein kinase C alpha type | IC50 | = | 1.7 | nM | 8.77 | Inhibition of PKCalpha by scintillation proximity assay | 21797275 |
| Protein kinase C epsilon type | IC50 | = | 3.9 | nM | 8.41 | Inhibition of PKCepsilon by scintillation proximity assay | 21797275 |
| Protein kinase C eta type | IC50 | = | 5.4 | nM | 8.27 | Inhibition of PKCeta by scintillation proximity assay | 21797275 |
| Protein kinase C beta type | IC50 | = | 23.0 | nM | 7.64 | Inhibition of PKCbeta-1 by scintillation proximity assay | 21797275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine