Compound Detail
CHEMBL1928100
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Basic Information
| ChEMBL ID | CHEMBL1928100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUPHPGOQZMNKCP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
305.7
MW (Da)
3.06
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 7100.0 | nM | 5.15 | Inhibition of recombinant HCV genotype 1b NS5B polymerase activity after 3 hrs b... | 22100256 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22100256 | 10.1016/j.bmc.2011.10.058 | Hepatitis C virus | 3 |
| 22100256 | 10.1016/j.bmc.2011.10.058 | Huh-7 | 2 |
| 22100256 | 10.1016/j.bmc.2011.10.058 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine