Compound Detail
CHEMBL1630212
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Basic Information
| ChEMBL ID | CHEMBL1630212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBMKPKBOOXKYSQ-WKILWMFISA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
5.02
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.75
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 7.7 | 6.574 | 20.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 20.0 | nM | 7.7 | Antiviral activity against Hepatitis C virus genotype 1a H77 infected in human H... | 18694956 |
| Hepatitis C virus | EC50 | = | 25.0 | nM | 7.6 | Antiviral activity against Hepatitis C virus isolate Con1 infected in human Huh7... | 18694956 |
| Hepatitis C virus | EC50 | = | 200.0 | nM | 6.7 | Antiviral activity against Hepatitis C virus isolate Con1 transfected with NS5B ... | 18694956 |
| Hepatitis C virus | EC50 | = | 2200.0 | nM | 5.66 | Antiviral activity against Hepatitis C virus isolate Con1 transfected with NS5B ... | 18694956 |
| Hepatitis C virus | EC50 | = | 6100.0 | nM | 5.21 | Antiviral activity against Hepatitis C virus genotype 2a JFH1 infected in human ... | 18694956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18694956 | 10.1128/aac.00533-08 | Hepatitis C virus | 16 |
Data from ChEMBL 36 via Core Engine