Compound Detail
CHEMBL38644
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Basic Information
| ChEMBL ID | CHEMBL38644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKIBGIFZZLLBIL-KRWDZBQOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
3.99
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL2213 | Ki | 7.51 | 7.51 | 31.1 | 1 |
| Protein kinase C alpha type CHEMBL299 | Ki | 7.51 | 7.51 | 31.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 31.1 | nM | 7.51 | Displacement of [20-3H]phorbol-12,13-dibutyrate (PDBu) from recombinant Protein ... | 12699375 |
| Protein kinase C alpha type | Ki | = | 31.1 | nM | 7.51 | Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalp... | 11384235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12699375 | 10.1021/jm020476o | No relevant target | 1 |
| 12699375 | 10.1021/jm020476o | Protein kinase C alpha type | 1 |
| 11384235 | 10.1021/jm010052e | No relevant target | 1 |
| 11384235 | 10.1021/jm010052e | Protein kinase C alpha type | 1 |
Data from ChEMBL 36 via Core Engine