Compound Detail
CHEMBL232875
VALEANT Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL232875 |
| Name | VALEANT |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNEACARJKXYVND-KQGZCTBQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
1
Known Names
Molecular Properties
374.4
MW (Da)
3.37
ALogP
5
HBA
2
HBD
91.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.52 | 4.91 | 3000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of His-tagged recombinant NS5B Cdelta 21 polymerase expressed in Esch... | 20627595 |
| Unchecked | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of HCV NS5B polymerase by RdRp-catalyzed elongation assay | 17049849 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17049849 | 10.1016/j.bmcl.2006.09.095 | Unchecked | 1 |
| 20627595 | 10.1016/j.bmc.2010.05.030 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine