Compound Detail
CHEMBL278785
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
O=C(O)[C@H](Cc1ccccc1)N(Cc1ccc(-c2cc3ccccc3o2)s1)C(=O)c1ccc(Cl)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL278785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBULOUKTPCHXAL-DEOSSOPVSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
550.5
MW (Da)
7.81
ALogP
4
HBA
1
HBD
70.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.07
Ki 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
| Hepatitis C virus CHEMBL379 | IC50 | 5.07 | 5.07 | 8600.0 | 1 |
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 5.07 | 5.07 | 8600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | Ki | = | 2200.0 | nM | 5.66 | Inhibitory constant against hepatitis C virus NS3 protease | 15633995 |
| RNA-directed RNA polymerase | IC50 | = | 8600.0 | nM | 5.07 | Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructur... | 12672227 |
| Hepatitis C virus | IC50 | = | 8600.0 | nM | 5.07 | Antiviral activity against Hepatitis C virus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12672227 | 10.1021/jm0340400 | RNA-directed RNA polymerase | 1 |
| 15633995 | 10.1021/jm0400101 | NS3 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine