Compound Detail
CHEMBL4208028
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Basic Information
| ChEMBL ID | CHEMBL4208028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTRDTMDMDUVYSM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
3.58
ALogP
6
HBA
2
HBD
80.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C iota type CHEMBL2598 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C iota type | IC50 | = | 30.0 | nM | 7.52 | Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in bacul... | 29688013 |
| Protein kinase C alpha type | IC50 | = | 250.0 | nM | 6.6 | Inhibition of full-length N-terminal GST-fused human PKC-alpha expressed in bacu... | 29688013 |
| Protein kinase C epsilon type | IC50 | = | 530.0 | nM | 6.28 | 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 |
Data from ChEMBL 36 via Core Engine