Compound Detail
CHEMBL5597067
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(=O)O[C@@H]1c2c3c(cc(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 | CHEMBL5597067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTVJDOXJARPXBR-HXCGLYFPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
4.32
ALogP
8
HBA
1
HBD
108.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular stomatitis virus CHEMBL613739 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular stomatitis virus | IC50 | = | 320.0 | nM | 6.5 | 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