Compound Detail
CHEMBL182020
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 | CHEMBL182020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANUYUHYVAXDKID-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.3
MW (Da)
3.74
ALogP
5
HBA
1
HBD
71.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nonstructural protein 5A CHEMBL3307224 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 500.0 | nM | 6.3 | Inhibitory concentration against RNA dependent RNA polymerase Nonstructural prot... | 15664835 |
| Nonstructural protein 5A | IC50 | = | 500.0 | nM | 6.3 | Binding affinity to HCV NS5A polymerase | 30639895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664835 | 10.1016/j.bmcl.2004.11.028 | RNA-directed RNA polymerase | 1 |
| 30639895 | 10.1016/j.ejmech.2018.12.045 | Nonstructural protein 5A | 1 |
Data from ChEMBL 36 via Core Engine