Compound Detail
CHEMBL2431466
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2ccn[nH]c2=O)cc1C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL2431466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDTIOWUJACSSAD-RMKNXTFCSA-N |
1
Targets
4
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
4.28
ALogP
5
HBA
2
HBD
101.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.0
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 9.0 | 8.7667 | 1.0 | 3 |
| Hepatitis C virus CHEMBL379 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 53.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 1.0 | nM | 9.0 | Antiviral activity against Hepatitis C virus isolate Con1 infected in human 2209... | 24069953 |
| Hepatitis C virus | EC50 | = | 1.0 | nM | 9.0 | Antiviral activity against Hepatitis C virus isolate H77 infected in human 2209-... | 24069953 |
| Hepatitis C virus | IC50 | = | 1.0 | nM | 9.0 | Inhibition of N-terminal 6-his tagged HCV isolate Con1 NS5B5 polymerase containi... | 24069953 |
| Hepatitis C virus | EC50 | = | 5.0 | nM | 8.3 | Antiviral activity against Hepatitis C virus isolate Con1 infected in human 2209... | 24069953 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24069953 | 10.1021/jm401266k | Hepatitis C virus | 5 |
| 24069953 | 10.1021/jm401266k | Hepatocyte | 2 |
| 24069953 | 10.1021/jm401266k | Liver microsomes | 2 |
| 24069953 | 10.1021/jm401266k | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine