Compound Detail
CHEMBL4759000
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 | CHEMBL4759000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEVMZPOUYNGAKE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
461.3
MW (Da)
4.48
ALogP
6
HBA
1
HBD
76.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 2 CHEMBL613966 | EC50 | 7.1 | 7.1 | 79.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 2 | EC50 | = | 79.0 | nM | 7.1 | Antiviral activity against DENV2 New Guinea C strain infected in Huh7 cells afte... | 32631507 |
| dengue virus type 2 | EC50 | = | 79.0 | nM | 7.1 | Antiviral activity against DENV2 New Guinea C strain infected in human Huh7 cell... | 34624490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32631507 | 10.1016/j.bmcl.2020.127284 | dengue virus type 2 | 3 |
| 32631507 | 10.1016/j.bmcl.2020.127284 | Huh-7 | 1 |
| 34624490 | 10.1016/j.bmcl.2021.128407 | dengue virus type 2 | 1 |
Data from ChEMBL 36 via Core Engine