Compound Detail
CHEMBL4212424
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Basic Information
| ChEMBL ID | CHEMBL4212424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHMCEYCPFVOSNY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
4.54
ALogP
5
HBA
2
HBD
67.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C iota type CHEMBL2598 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C iota type | IC50 | = | 2.7 | nM | 8.57 | Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in bacul... | 29688013 |
| Protein kinase C alpha type | IC50 | = | 45.0 | nM | 7.35 | Inhibition of full-length N-terminal GST-fused human PKC-alpha expressed in bacu... | 29688013 |
| Protein kinase C epsilon type | IC50 | = | 45.0 | nM | 7.35 | Inhibition of full-length N-terminal GST-fused human PKC-epsilon expressed in ba... | 29688013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29688013 | 10.1021/acs.jmedchem.8b00060 | Protein kinase C iota type | 1 |
| 29688013 | 10.1021/acs.jmedchem.8b00060 | Protein kinase C alpha type | 1 |
| 29688013 | 10.1021/acs.jmedchem.8b00060 | Protein kinase C epsilon type | 1 |
| 29688013 | 10.1021/acs.jmedchem.8b00060 | Huh-7 | 1 |
| 29688013 | 10.1021/acs.jmedchem.8b00060 | HCCLM3 | 1 |
Data from ChEMBL 36 via Core Engine