Compound Detail
CHEMBL1673141
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Basic Information
| ChEMBL ID | CHEMBL1673141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYPIRLYMDJMKGW-PJGXCUNHSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
259.2
MW (Da)
-1.20
ALogP
7
HBA
3
HBD
110.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.96 | 5.6775 | 1100.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 1100.0 | nM | 5.96 | Antiviral activity against Hepatitis C virus genotype 1b infected in human HuH6 ... | 18625766 |
| Hepatitis C virus | EC50 | = | 1700.0 | nM | 5.77 | Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh-9... | 18625766 |
| Hepatitis C virus | EC50 | = | 2100.0 | nM | 5.68 | Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh5-... | 18625766 |
| Hepatitis C virus | EC50 | = | 5000.0 | nM | 5.3 | Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh-M... | 18625766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18625766 | 10.1128/aac.01534-07 | Hepatitis C virus | 4 |
| 18625766 | 10.1128/aac.01534-07 | ADMET | 4 |
Data from ChEMBL 36 via Core Engine