Compound Detail
CHEMBL403145
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NC(=O)COc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3ccccc3n(NC3CCC3)c1=O)N2
Basic Information
| ChEMBL ID | CHEMBL403145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMABTPPZYYJSLO-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
483.5
MW (Da)
1.23
ALogP
9
HBA
4
HBD
165.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 7.48 | 6.425 | 33.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 33.0 | nM | 7.48 | Antiviral activity against Hepatitis C virus isolate Con1 infected in human Huh7... | 18694956 |
| Hepatitis C virus | EC50 | = | 70.0 | nM | 7.16 | Antiviral activity against HCV 1b-N | 17371824 |
| Hepatitis C virus | EC50 | = | 70.0 | nM | 7.16 | Antiviral activity against HCV 1b N infected in human HuH7 cells assessed as inh... | 21798747 |
| Hepatitis C virus | EC50 | = | 140.0 | nM | 6.85 | Antiviral activity against Hepatitis C virus genotype 1a H77 infected in human H... | 18694956 |
| Hepatitis C virus | EC50 | = | 5000.0 | nM | 5.3 | Antiviral activity against Hepatitis C virus isolate Con1 transfected with NS5B ... | 18694956 |
| Hepatitis C virus | EC50 | = | 25000.0 | nM | 4.6 | Antiviral activity against Hepatitis C virus isolate Con1 transfected with NS5B ... | 18694956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17371824 | 10.1128/aac.01004-06 | Hepatitis C virus | 18 |
| 18694956 | 10.1128/aac.00533-08 | Hepatitis C virus | 16 |
| 21798747 | 10.1016/j.bmc.2011.06.079 | Hepatitis C virus | 1 |
| 21798747 | 10.1016/j.bmc.2011.06.079 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine