Compound Detail
CHEMBL99478
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Basic Information
| ChEMBL ID | CHEMBL99478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPVIDVLFVGWECR-PKIKSRDPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
267.2
MW (Da)
-2.56
ALogP
8
HBA
4
HBD
130.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of HCV 1b BK NS5B570 RNA polymerase | 17317178 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17317178 | 10.1016/j.bmcl.2007.02.004 | Hepatitis C virus | 2 |
| 10425099 | 10.1021/jm990050i | L1210 | 1 |
| 10425099 | 10.1021/jm990050i | KB | 1 |
| 17317178 | 10.1016/j.bmcl.2007.02.004 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine