Compound Detail
CHEMBL3962118
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Basic Information
| ChEMBL ID | CHEMBL3962118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWAPMUFOUJTECE-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
334.8
MW (Da)
3.12
ALogP
6
HBA
3
HBD
87.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.8
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.8 | 6.8 | 159.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 159.0 | nM | 6.8 | Antiviral activity against Hepatitis C virus genotype 1b infected in human HuH5.... | 27474921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27474921 | 10.1016/j.ejmech.2016.07.035 | Unchecked | 5 |
| 27474921 | 10.1016/j.ejmech.2016.07.035 | Hepatitis C virus | 2 |
| 27474921 | 10.1016/j.ejmech.2016.07.035 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine