Compound Detail
CHEMBL1210272
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Basic Information
| ChEMBL ID | CHEMBL1210272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMCLSECEWBCXDY-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
4.67
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 5.4
IC50 1 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.96 | 9.96 | 0.1 | 1 |
| RNA-directed RNA polymerase CHEMBL4296320 | Kd | 5.4 | 5.02 | 3994.0 | 2 |
| Unchecked CHEMBL612545 | Kd | 5.37 | 5.37 | 4320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.11 | nM | 9.96 | Inhibition of HCV GT1b NS5B polymerase | 20584604 |
| RNA-directed RNA polymerase | Kd | = | 3994.0 | nM | 5.4 | Inhibition of HCV NS5B polymerase M414T mutant | 20584604 |
| Unchecked | Kd | = | 4320.0 | nM | 5.37 | Inhibition of wild type HCV GT1b NS5B polymerase | 20584604 |
| RNA-directed RNA polymerase | Kd | = | 23090.0 | nM | 4.64 | Inhibition of HCV NS5B polymerase L419M mutant | 20584604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20584604 | 10.1016/j.bmcl.2010.06.008 | Unchecked | 2 |
| 20584604 | 10.1016/j.bmcl.2010.06.008 | RNA-directed RNA polymerase | 2 |
| 20584604 | 10.1016/j.bmcl.2010.06.008 | Hepatitis C virus | 1 |
| 20584604 | 10.1016/j.bmcl.2010.06.008 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine