Compound Detail
CHEMBL492768
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Basic Information
| ChEMBL ID | CHEMBL492768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWTDXRPWKGXCPJ-YBEGLDIGSA-N |
4
Targets
7
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
2.97
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.02
EC50 2 meas. best 6.18
Ki 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.18 | 6.18 | 660.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
| Polymerase acidic protein CHEMBL1169598 | Ki | 5.7 | 5.7 | 1990.0 | 1 |
| Polymerase acidic protein CHEMBL1169598 | EC50 | 5.17 | 5.17 | 6800.0 | 1 |
| Hepatitis C virus CHEMBL379 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
| Replicase polyprotein 1ab CHEMBL5118 | IC50 | 4.4 | 4.39 | 39900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 660.0 | nM | 6.18 | Antiviral activity against HCV subgenomic replicon harboring NS5B gene transfect... | 18644717 |
| Unchecked | IC50 | = | 960.0 | nM | 6.02 | Inhibition of HCV RNA dependent RNA polymerase | 19233643 |
| Polymerase acidic protein | Ki | = | 1990.0 | nM | 5.7 | Binding affinity to PA N-terminal domain (Competitive) | 22211528 |
| Polymerase acidic protein | EC50 | = | 6800.0 | nM | 5.17 | Plaque growth inhibition | 22211528 |
| Hepatitis C virus | IC50 | = | 8300.0 | nM | 5.08 | Inhibition of recombinant HCV 1b NS5B deltac21 RNA polymerase by scintillator co... | 18644717 |
| Replicase polyprotein 1ab | IC50 | = | 39900.0 | nM | 4.4 | Inhibition of SCV helicase assessed as duplex-DNA unwinding by FRET based assay | 19233643 |
| Replicase polyprotein 1ab | IC50 | = | 41300.0 | nM | 4.38 | Inhibition of ATPase activity of SCV helicase assessed as phosphate release by c... | 19233643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19233643 | 10.1016/j.bmcl.2009.02.010 | Replicase polyprotein 1ab | 2 |
| 18644717 | 10.1016/j.bmcl.2008.07.008 | Hepatitis C virus | 2 |
| 22211528 | 10.1021/cb200439z | Polymerase acidic protein | 2 |
| 19233643 | 10.1016/j.bmcl.2009.02.010 | Unchecked | 1 |
| 18644717 | 10.1016/j.bmcl.2008.07.008 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine