Compound Detail
CHEMBL499145
POLIUMOSIDE Enter ChEMBL ID:
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C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL499145 |
| Name | POLIUMOSIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMWRMAOPKNYHMZ-LLVTZOIGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
770.7
MW (Da)
-2.16
ALogP
19
HBA
11
HBD
304.2
PSA (Ų)
0.06
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 4.61 | 4.61 | 24400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 24400.0 | nM | 4.61 | Inhibition of human recombinant PKCalpha | 9834166 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30817148 | 10.1021/acs.jnatprod.8b00975 | Cryptococcus neoformans | 2 |
| 9834166 | 10.1021/np980147s | Protein kinase C alpha type | 1 |
| 21524582 | 10.1016/j.bmcl.2011.03.078 | NON-PROTEIN TARGET | 1 |
| 30817148 | 10.1021/acs.jnatprod.8b00975 | Candida parapsilosis | 1 |
| 30817148 | 10.1021/acs.jnatprod.8b00975 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine