Compound Detail
CHEMBL388502
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Basic Information
| ChEMBL ID | CHEMBL388502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFHMRNGLRJXGSW-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
1.44
ALogP
6
HBA
1
HBD
59.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.82
Kd 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.82 | 5.82 | 1500.0 | 2 |
| RNA-directed RNA polymerase CHEMBL4296320 | Kd | 5.77 | 5.77 | 1700.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 1500.0 | nM | 5.82 | Reduction of HCV RNA levels by HCV replicon assay | 16279767 |
| Hepatitis C virus | EC50 | = | 1500.0 | nM | 5.82 | Antiviral activity against HCV | 30639895 |
| Unchecked | Kd | = | 1700.0 | nM | 5.77 | Binding affinity to HCV 40-mer RNA by MS based binding assay | 16279767 |
| RNA-directed RNA polymerase | Kd | = | 1700.0 | nM | 5.77 | Binding affinity to HCV NS5B polymerase | 30639895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279767 | 10.1021/jm050815o | Unchecked | 1 |
| 16279767 | 10.1021/jm050815o | ADMET | 1 |
| 16279767 | 10.1021/jm050815o | Hepatitis C virus | 1 |
| 30639895 | 10.1016/j.ejmech.2018.12.045 | Hepatitis C virus | 1 |
| 30639895 | 10.1016/j.ejmech.2018.12.045 | RNA-directed RNA polymerase | 1 |
Data from ChEMBL 36 via Core Engine