Compound Detail
CHEMBL3581528
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CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@@H](O)[C@@H](C)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(CCOC(=O)/C=C/C(C)(C)[C@]1(O)O2)O3
Basic Information
| ChEMBL ID | CHEMBL3581528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQBVVDHIRPICTK-RSTZBYGASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
813.0
MW (Da)
3.62
ALogP
16
HBA
4
HBD
230.9
PSA (Ų)
0.11
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | Ki | 7.86 | 7.86 | 13.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 13.8 | nM | 7.86 | Inhibition of [20-3H]phorbol 12,13-dibutyrate binding to human PKCalpha by scint... | 25808573 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25808573 | 10.1021/acs.jnatprod.5b00094 | U-937 | 3 |
| 25808573 | 10.1021/acs.jnatprod.5b00094 | NON-PROTEIN TARGET | 1 |
| 25808573 | 10.1021/acs.jnatprod.5b00094 | Protein kinase C alpha type | 1 |
Data from ChEMBL 36 via Core Engine