Compound Detail
CHEMBL3352908
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Basic Information
| ChEMBL ID | CHEMBL3352908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXRDBXAUSNRUHZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
3.25
ALogP
4
HBA
1
HBD
71.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL3559678 | IC50 | 4.16 | 4.16 | 69000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 69000.0 | nM | 4.16 | Inhibition of dengue virus NS2B-NS3 protease | 25305334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25305334 | 10.1016/j.ejmech.2014.10.010 | Genome polyprotein | 1 |
Data from ChEMBL 36 via Core Engine