Compound Detail
CHEMBL4871515
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
Basic Information
| ChEMBL ID | CHEMBL4871515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJWHORWLTDTKCQ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
378.1
MW (Da)
4.56
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.83 | 5.5667 | 1490.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1490.0 | nM | 5.83 | Inhibition of envelope protein in Zika virus | 33689873 |
| Unchecked | IC50 | = | 1590.0 | nM | 5.8 | Inhibition of NS-1in Zika virus | 33689873 |
| Unchecked | IC50 | = | 8600.0 | nM | 5.07 | Antiviral activity against Zika virus infected in SNB-19 cells assessed as reduc... | 33689873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33689873 | 10.1016/j.bmcl.2021.127906 | Unchecked | 3 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | ADMET | 2 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | SARS-CoV-2 | 2 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | SNB-19 | 1 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine