Compound Detail
CHEMBL5597448
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CC(=O)O[C@@H]1c2c3c(c(Cl)c(O)c2C(=O)O[C@@H]1C)O[C@]1(C)CCC(=O)[C@]2(C)CC=C(C(C)C)O[C@]12C3
Basic Information
| ChEMBL ID | CHEMBL5597448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZARQLPTHSGXER-IYPZANOTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
519.0
MW (Da)
4.97
ALogP
8
HBA
1
HBD
108.4
PSA (Ų)
0.55
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular stomatitis virus CHEMBL613739 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular stomatitis virus | IC50 | = | 280.0 | nM | 6.55 | 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