Compound Detail
CHEMBL453598
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Basic Information
| ChEMBL ID | CHEMBL453598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJUMSBYSPRWYAF-GZTJUZNOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
428.4
MW (Da)
4.53
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL2567 | Ki | 8.53 | 8.155 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 2.96 | nM | 8.53 | Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting | 18698758 |
| Protein kinase C alpha type | Ki | = | 16.6 | nM | 7.78 | Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting | 18698758 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18698758 | 10.1021/jm8001907 | LNCaP | 4 |
| 18698758 | 10.1021/jm8001907 | Protein kinase C alpha type | 2 |
| 18698758 | 10.1021/jm8001907 | Transcription factor Jun | 1 |
| 18698758 | 10.1021/jm8001907 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine