Compound Detail
CHEMBL5589841
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CC(C)C1=CC[C@@]2(C)C(=O)CC[C@@]3(C)Oc4cc(O)c5c(c4C[C@@]32O1)[C@@H](O)[C@@H](C)OC5=O
Basic Information
| ChEMBL ID | CHEMBL5589841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBQHKAMVUHMEJR-DJDXMLRWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
3.75
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular stomatitis virus CHEMBL613739 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular stomatitis virus | IC50 | = | 970.0 | nM | 6.01 | Antiviral activity against Vesicular stomatitis virus infected in African green ... | 39126395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39126395 | 10.1021/acs.jnatprod.4c00539 | Vesicular stomatitis virus | 1 |
Data from ChEMBL 36 via Core Engine