Compound Detail
CHEMBL4879110
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
N=C(N)c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C(=N)N)c4)ccc2n3S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1
Basic Information
| ChEMBL ID | CHEMBL4879110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYEDUMLDANFUHT-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
627.6
MW (Da)
6.83
ALogP
6
HBA
4
HBD
148.0
PSA (Ų)
0.11
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.09
IC50 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL5980 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.09 | 5.09 | 8100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of DENV2 NS2B-NS3 protease | 34298282 |
| dengue virus type 2 | EC50 | = | 8100.0 | nM | 5.09 | Antiviral activity against Dengue virus 2 measured at 48 hrs post-infection | 34298282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34298282 | 10.1016/j.ejmech.2021.113695 | Genome polyprotein | 1 |
| 34298282 | 10.1016/j.ejmech.2021.113695 | dengue virus type 2 | 1 |
Data from ChEMBL 36 via Core Engine