Compound Detail
CHEMBL4212468
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Basic Information
| ChEMBL ID | CHEMBL4212468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSEGABWUJLTOFK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.74
ALogP
5
HBA
2
HBD
66.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zika virus CHEMBL4296612 | IC50 | 5.35 | 5.35 | 4477.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zika virus | IC50 | = | 4477.1 | nM | 5.35 | Antiviral activity against Zika virus infected in human A549 cells preincubated ... | 29258771 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29258771 | 10.1016/j.bmcl.2017.12.019 | A549 | 4 |
| 29258771 | 10.1016/j.bmcl.2017.12.019 | Zika virus | 1 |
Data from ChEMBL 36 via Core Engine