Compound Detail
CHEMBL516208
CYNATRATOSIDE A 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
Basic Information
| ChEMBL ID | CHEMBL516208 |
| Name | CYNATRATOSIDE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QANVGLGBLJFUIP-YWGGVVCFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
3.62
ALogP
8
HBA
1
HBD
92.7
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 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 |
|---|---|---|---|---|---|---|---|
| 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 | 13 |
| 17470783 | 10.1073/pnas.0702398104 | Sindbis virus | 1 |
| 17470783 | 10.1073/pnas.0702398104 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine