Compound Detail
CHEMBL3425977
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Basic Information
| ChEMBL ID | CHEMBL3425977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTPJAQNDSOHURF-QFOLPQNPSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
-0.66
ALogP
8
HBA
3
HBD
129.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.7
IC50 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Respiratory syncytial virus CHEMBL612679 | EC50 | 5.64 | 5.64 | 2310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 86.0 | nM | 7.07 | Inhibition of RSV A2 RNA-dependent RNA polymerase expressed in human Hep2 cells ... | 25978965 |
| NON-PROTEIN TARGET | EC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against RSV A2 infected in human Hep2 cells assessed as prote... | 25978965 |
| Respiratory syncytial virus | EC50 | = | 2310.0 | nM | 5.64 | Antiviral activity against RSV A2 infected in Normal human bronchial epithelial ... | 39018526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 39018526 | 10.1021/acs.jmedchem.4c00899 | Respiratory syncytial virus | 1 |
| 39018526 | 10.1021/acs.jmedchem.4c00899 | HEp-2 | 1 |
| 39018526 | 10.1021/acs.jmedchem.4c00899 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine