Compound Detail
CHEMBL112543
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Basic Information
| ChEMBL ID | CHEMBL112543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTAAXYMQPQSRMP-HAHDFKILSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
4.27
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | Ki | 7.85 | 7.62 | 14.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 14.1 | nM | 7.85 | Displacement of [20-3H]phorbol-12,13-dibutyrate (PDBu) from a recombinant protei... | 15163204 |
| Protein kinase C alpha type | Ki | = | 41.0 | nM | 7.39 | Displacement of [20-3H]phorbol-12,13-dibutyrate (PDBu) from a recombinant protei... | 15163204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163204 | 10.1021/jm030610k | Protein kinase C alpha type | 2 |
| 15163204 | 10.1021/jm030610k | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine