Compound Detail
CHEMBL420450
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Basic Information
| ChEMBL ID | CHEMBL420450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CANHUQMSCFNKBO-HKWRFOASSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
4.86
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.25
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | Ki | 7.46 | 7.46 | 35.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 35.0 | nM | 7.46 | Displacement of [20-3H]-phorbol 12,13-dibutyrate (PDBU) from PKCalpha (C1b domai... | 9873742 |
| Protein kinase C alpha type | Ki | = | 35.0 | nM | 7.46 | Displacement of [H-20]phorbol12,13-dibutyrate (PDBU) from Protein kinase C alpha | 8568806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873742 | 10.1016/s0960-894x(98)00614-3 | Protein kinase C alpha type | 1 |
| 8568806 | 10.1021/jm950276v | Protein kinase C alpha type | 1 |
Data from ChEMBL 36 via Core Engine