Compound Detail
CHEMBL486477
PANICULATUMOSIDE C Enter ChEMBL ID:
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CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4C(=O)OC5CO[C@]6(C)OC=C(CC[C@@H]43)[C@H]56)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](O)[C@H](O[C@@H]2C[C@@H](OC)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1
Basic Information
| ChEMBL ID | CHEMBL486477 |
| Name | PANICULATUMOSIDE C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POVMHNXMNTUPDJ-DGNHSPILSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
1103.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.0
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Getah virus CHEMBL612760 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| Sindbis virus CHEMBL613725 | EC50 | 8.82 | 8.82 | 1.5 | 2 |
| Eastern equine encephalitis virus CHEMBL612725 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Tobacco mosaic virus CHEMBL613818 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Getah virus | EC50 | = | 1.0 | nM | 9.0 | Antiviral activity against Getah virus in BHK21 cells assessed as inhibition of ... | 17470783 |
| Sindbis virus | EC50 | = | 1.5 | nM | 8.82 | Decrease in Sindbis virus XJ160 accumulation in BHK21 cells at 2.5 uM by ELISA | 17470783 |
| Sindbis virus | EC50 | = | 1.5 | nM | 8.82 | Antiviral activity against Sindbis virus in BHK21 cells assessed as inhibition o... | 17470783 |
| Eastern equine encephalitis virus | EC50 | = | 2.0 | nM | 8.7 | Antiviral activity against Eastern equine encephalitis virus in BHK21 cells asse... | 17470783 |
| Tobacco mosaic virus | IC50 | = | 25.0 | nM | 7.6 | Inhibition of TMV U1 replication in tobacco BY2 protoplast by local lesion assay... | 17470783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17470783 | 10.1073/pnas.0702398104 | Tobacco mosaic virus | 19 |
| 17470783 | 10.1073/pnas.0702398104 | Sindbis virus | 13 |
| 17470783 | 10.1073/pnas.0702398104 | Unchecked | 4 |
| 17470783 | 10.1073/pnas.0702398104 | ADMET | 2 |
| 17470783 | 10.1073/pnas.0702398104 | Eastern equine encephalitis virus | 1 |
| 17470783 | 10.1073/pnas.0702398104 | Getah virus | 1 |
| 17470783 | 10.1073/pnas.0702398104 | Japanese encephalitis virus | 1 |
| 17470783 | 10.1073/pnas.0702398104 | Hepatitis C virus | 1 |
| 17470783 | 10.1073/pnas.0702398104 | Measles morbillivirus | 1 |
| 17470783 | 10.1073/pnas.0702398104 | Influenza A virus | 1 |
| 17470783 | 10.1073/pnas.0702398104 | unidentified adenovirus | 1 |
| 17470783 | 10.1073/pnas.0702398104 | Reovirus sp. | 1 |
| 17470783 | 10.1073/pnas.0702398104 | Human immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine