Compound Detail
CHEMBL483357
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Basic Information
| ChEMBL ID | CHEMBL483357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTOLOIKYVCHRJW-JVZYCSMKSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
286.2
MW (Da)
-0.95
ALogP
8
HBA
3
HBD
159.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.72
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 6.72 | 6.72 | 190.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 5.4 | 5.4 | 4020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 190.0 | nM | 6.72 | Antiviral activity against Respiratory syncytial virus subgenomic replicon syste... | 25667954 |
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | Inhibition of RSV A2 RNA-dependent RNA polymerase expressed in human Hep2 cells ... | 25978965 |
| NON-PROTEIN TARGET | EC50 | = | 3500.0 | nM | 5.46 | Antiviral activity against RSV A2 infected in human Hep2 cells assessed as prote... | 25978965 |
| Hepatitis C virus | EC50 | = | 4020.0 | nM | 5.4 | Antiviral activity against HCV 1b infected in human 2209-23 cells by replicon as... | 19341305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19341305 | 10.1021/jm801595c | ADMET | 2 |
| 19341305 | 10.1021/jm801595c | Hepatitis C virus | 1 |
| 25667954 | 10.1021/jm5017279 | Respiratory syncytial virus | 1 |
| 25667954 | 10.1021/jm5017279 | HeLa | 1 |
| 25978965 | 10.1016/j.bmcl.2015.04.073 | NON-PROTEIN TARGET | 1 |
| 25978965 | 10.1016/j.bmcl.2015.04.073 | Unchecked | 1 |
| 25978965 | 10.1016/j.bmcl.2015.04.073 | DNA-directed RNA polymerase, mitochondrial | 1 |
| 25978965 | 10.1016/j.bmcl.2015.04.073 | DNA polymerase subunit gamma-1/gamma-2 | 1 |
| 25978965 | 10.1016/j.bmcl.2015.04.073 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine