Compound Detail
CHEMBL3902813
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Basic Information
| ChEMBL ID | CHEMBL3902813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSFMDHPNWDFPGO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
381.8
MW (Da)
4.87
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.08 | 5.08 | 8400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8400.0 | nM | 5.08 | Inhibition of wild-type HCV genotype 1b Con1 C-terminal truncated NS5B RNA depen... | 27908764 |
| Unchecked | IC50 | = | 8400.0 | nM | 5.08 | Inhibition of HCV genotype 1b NS5B replicase expressed in Escherichia coli BL21(... | 28430437 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28430437 | 10.1021/acs.jmedchem.7b00328 | Hepatitis C virus | 2 |
| 27908764 | 10.1016/j.bmcl.2016.11.054 | Unchecked | 1 |
| 27908764 | 10.1016/j.bmcl.2016.11.054 | RNA-directed RNA polymerase | 1 |
| 27908764 | 10.1016/j.bmcl.2016.11.054 | Hepatitis C virus | 1 |
| 28430437 | 10.1021/acs.jmedchem.7b00328 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine