Compound Detail
CHEMBL5597201
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C[C@@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@]1(C)CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C3
Basic Information
| ChEMBL ID | CHEMBL5597201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFWQLQINZAVWGP-QOXRBUJVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
4.61
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular stomatitis virus CHEMBL613739 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular stomatitis virus | IC50 | = | 23.0 | nM | 7.64 | 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