Compound Detail
CHEMBL282159
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CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23CC(OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cccc(O)c1
Basic Information
| ChEMBL ID | CHEMBL282159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REAZZDPREXHWNV-BUNNSNHRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
592.7
MW (Da)
4.39
ALogP
10
HBA
3
HBD
141.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | Ki | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 20.0 | nM | 7.7 | Binding affinity (Ki) towards Protein kinase C | 8176711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8176711 | 10.1021/jm00035a013 | Protein kinase C alpha type | 1 |
Data from ChEMBL 36 via Core Engine