Compound Detail
CHEMBL299225
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Basic Information
| ChEMBL ID | CHEMBL299225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJBRVCLEYDEESF-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
4.30
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | Ki | 6.86 | 6.86 | 138.0 | 3 |
| Unchecked CHEMBL612545 | Ki | 6.86 | 6.86 | 138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 138.0 | nM | 6.86 | Displacement of [20-3H]phorbol-12,13-dibutyrate from a recombinant PK-C alpha | 9873429 |
| Protein kinase C alpha type | Ki | = | 138.0 | nM | 6.86 | Displacement of phorbol 12,13-dibutyrate (PDBU) from Protein kinase C alpha | 8568819 |
| Protein kinase C alpha type | Ki | = | 138.0 | nM | 6.86 | Displacement of [H-20]phorbol12,13-dibutyrate (PDBU) from Protein kinase C alpha | 8568806 |
| Unchecked | Ki | = | 138.0 | nM | 6.86 | Displacement of [20-3H]-phorbol 12,13-dibutyrate (PDBU) from recombinant Protein... | 15267238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873429 | 10.1016/s0960-894x(98)00307-2 | Protein kinase C alpha type | 1 |
| 8568819 | 10.1021/jm950277n | Protein kinase C alpha type | 1 |
| 8568806 | 10.1021/jm950276v | Protein kinase C alpha type | 1 |
| 15267238 | 10.1021/jm0497747 | No relevant target | 1 |
| 15267238 | 10.1021/jm0497747 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine