Compound Detail
CHEMBL16281
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Basic Information
| ChEMBL ID | CHEMBL16281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPKAIMDMNWBOKN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
178.2
MW (Da)
1.27
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 50000.0 | nM | 4.3 | Antiviral activity against Hepatitis C virus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12646026 | 10.1021/jm020334u | Polymerase acidic protein | 1 |
| 14695815 | 10.1021/jm0342109 | RNA-directed RNA polymerase | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | unidentified influenza virus | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Hepatitis C virus | 1 |
| 7695269 | 10.1128/aac.38.12.2827 | Polymerase acidic protein | 1 |
| 31351848 | 10.1016/j.bmc.2019.07.027 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine