Compound Detail
CHEMBL481635
CALCEOLARIOSIDE A Enter ChEMBL ID:
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O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)[C@@H](O)[C@H](OCCc2ccc(O)c(O)c2)O[C@@H]1CO
Basic Information
| ChEMBL ID | CHEMBL481635 |
| Name | CALCEOLARIOSIDE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHIGZYLCYRQESL-VJWFJHQPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
478.4
MW (Da)
0.13
ALogP
11
HBA
7
HBD
186.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 600.0 | nM | 6.22 | Inhibition of human recombinant PKCalpha | 9834166 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25827400 | 10.1016/j.ejmech.2015.03.038 | NON-PROTEIN TARGET | 2 |
| 9834166 | 10.1021/np980147s | Protein kinase C alpha type | 1 |
| 10514305 | 10.1021/np990092+ | Unchecked | 1 |
| 10514305 | 10.1021/np990092+ | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine