Compound Detail
CHEMBL2164952
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CC1(C)Oc2cc3oc(CO)cc(=O)c3cc2C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL2164952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPVOKFQFZJGUAP-FGSPNWDHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
438.4
MW (Da)
-0.82
ALogP
10
HBA
5
HBD
159.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tobacco mosaic virus CHEMBL613818 | IC50 | 4.17 | 4.17 | 68100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tobacco mosaic virus | IC50 | = | 68100.0 | nM | 4.17 | Antiviral activity against Tobacco mosaic virus infected in right side leaf of N... | 23078294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23078294 | 10.1021/np300395m | Tobacco mosaic virus | 8 |
| 23078294 | 10.1021/np300395m | ADMET | 1 |
| 23078294 | 10.1021/np300395m | C8166 | 1 |
| 23078294 | 10.1021/np300395m | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine