Compound Detail
CHEMBL111625
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Basic Information
| ChEMBL ID | CHEMBL111625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKDPPGRNXLDXPE-STZFKDTASA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
424.6
MW (Da)
5.59
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.21
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | Ki | 8.64 | 8.64 | 2.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 2.3 | nM | 8.64 | Binding Affinity against protein kinase C alpha | 10715158 |
| Protein kinase C alpha type | Ki | = | 2.3 | nM | 8.64 | Affinity for protein kinase-C alpha (PK-C alpha) | 10966739 |
| Protein kinase C alpha type | Ki | = | 2.3 | nM | 8.64 | Displacement of [20-3H]-phorbol 12,13-dibutyrate (PDBU) from protein kinase C al... | 14736244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10715158 | 10.1021/jm9904607 | Protein kinase C alpha type | 2 |
| 10715158 | 10.1021/jm9904607 | C3H 10T1/2 | 1 |
| 10715158 | 10.1021/jm9904607 | Panel NCI-60 (60 carcinoma cell lines) | 1 |
| 10715158 | 10.1021/jm9904607 | COLO 205 | 1 |
| 10715158 | 10.1021/jm9904607 | K562 | 1 |
| 10715158 | 10.1021/jm9904607 | Unchecked | 1 |
| 10966739 | 10.1021/jm990613q | Protein kinase C alpha type | 1 |
| 14736244 | 10.1021/jm030454h | Protein kinase C alpha type | 1 |
Data from ChEMBL 36 via Core Engine