Compound Detail
CHEMBL4212750
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 | CHEMBL4212750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQDWMJMGJXRGNB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
392.8
MW (Da)
4.58
ALogP
5
HBA
2
HBD
66.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zika virus CHEMBL4296612 | IC50 | 9.02 | 8.295 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zika virus | IC50 | = | 0.9616 | nM | 9.02 | Antiviral activity against Zika virus infected in human A549 cells assessed as r... | 31477351 |
| Zika virus | IC50 | = | 26.9 | nM | 7.57 | 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 |
| 31477351 | 10.1016/j.bmcl.2019.126626 | A549 | 2 |
| 29258771 | 10.1016/j.bmcl.2017.12.019 | Zika virus | 1 |
| 31477351 | 10.1016/j.bmcl.2019.126626 | Zika virus | 1 |
Data from ChEMBL 36 via Core Engine