Compound Detail
CHEMBL4763844
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CC(C)c1cc2c(cc1O)[C@@H](O)[C@@H](O)[C@H]1[C@](C)(CO)CCC[C@]21C
Basic Information
| ChEMBL ID | CHEMBL4763844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSYVXIPRHIZFFL-SWBPCFCJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
334.5
MW (Da)
2.98
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zika virus CHEMBL4296612 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zika virus | IC50 | = | 2500.0 | nM | 5.6 | Antiviral activity against Zika virus | 32786878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32786878 | 10.1021/acs.jnatprod.0c00291 | Zika virus | 1 |
Data from ChEMBL 36 via Core Engine