Compound Detail
CHEMBL55267
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Basic Information
| ChEMBL ID | CHEMBL55267 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQBULZYTDGUSSK-KRWDZBQOSA-N |
6
Targets
7
Activities
3
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
4.15
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.28
Ki 3 meas. best 7.48
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL2213 | Ki | 7.48 | 7.48 | 33.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | Ki | 7.48 | 7.44 | 33.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Protein kinase C theta type CHEMBL3920 | EC50 | 5.28 | 5.28 | 5240.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | EC50 | 5.09 | 5.09 | 8190.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | EC50 | 4.79 | 4.79 | 16150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 33.0 | nM | 7.48 | Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalp... | 11384235 |
| Protein kinase C alpha type | Ki | = | 33.0 | nM | 7.48 | Displacement of [20-3H] phorbol 12,13-dibutyrate from protein kinase C alpha | 10762046 |
| Protein kinase C alpha type | Ki | = | 40.1 | nM | 7.4 | Displacement of [3H]PDBu from human recombinant PKCalpha expressed in Sf9 cells ... | 19438240 |
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of [3H]PDBu binding to murine brain PKC (protein kinase C) | 2362276 |
| Protein kinase C theta type | EC50 | = | 5240.0 | nM | 5.28 | Binding affinity to GST-tagged PKCtheta expressed in Escherichia coli BL21(DE3) ... | 20100661 |
| Protein kinase C epsilon type | EC50 | = | 8190.0 | nM | 5.09 | Binding affinity to GST-tagged PKCepsilon expressed in Escherichia coli BL21(DE3... | 20100661 |
| Protein kinase C delta type | EC50 | = | 16150.0 | nM | 4.79 | Binding affinity to GST-tagged PKCdelta expressed in Escherichia coli BL21(DE3) ... | 20100661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2362276 | 10.1021/jm00169a023 | Unchecked | 1 |
| 11384235 | 10.1021/jm010052e | No relevant target | 1 |
| 11384235 | 10.1021/jm010052e | Protein kinase C alpha type | 1 |
| 10762046 | 10.1016/s0960-894x(00)00070-6 | Protein kinase C alpha type | 1 |
| 10762046 | 10.1016/s0960-894x(00)00070-6 | No relevant target | 1 |
| 19438240 | 10.1021/jm900229p | Protein kinase C alpha type | 1 |
| 19438240 | 10.1021/jm900229p | Protein kinase C delta type | 1 |
| 20100661 | 10.1016/j.bmc.2009.12.075 | Protein kinase C delta type | 1 |
| 20100661 | 10.1016/j.bmc.2009.12.075 | Protein kinase C epsilon type | 1 |
| 20100661 | 10.1016/j.bmc.2009.12.075 | Protein kinase C theta type | 1 |
Data from ChEMBL 36 via Core Engine