Compound Detail
CHEMBL2021379
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Basic Information
| ChEMBL ID | CHEMBL2021379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYHBQMYGNKIUIF-FTWQFJAYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
283.2
MW (Da)
-2.27
ALogP
10
HBA
5
HBD
159.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 20000.0 | nM | 4.7 | Inhibition HCV NS5B-mediated RNA synthesis | 15084127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3950905 | 10.1021/jm00152a007 | ADMET | 12 |
| 3950905 | 10.1021/jm00152a007 | Mus musculus | 9 |
| 3950905 | 10.1021/jm00152a007 | Vero | 6 |
| 3950905 | 10.1021/jm00152a007 | HeLa | 4 |
| 3950905 | 10.1021/jm00152a007 | WI-38 | 3 |
| 15084127 | 10.1021/jm030424e | RNA-directed RNA polymerase | 2 |
| 184282 | 10.1021/jm00230a010 | Human alphaherpesvirus 1 | 2 |
| 184282 | 10.1021/jm00230a010 | Human alphaherpesvirus 2 | 1 |
| 184282 | 10.1021/jm00230a010 | Vaccinia virus | 1 |
| 184282 | 10.1021/jm00230a010 | KB | 1 |
Data from ChEMBL 36 via Core Engine