Compound Detail
CHEMBL176605
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
Basic Information
| ChEMBL ID | CHEMBL176605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFCQJGFZUQFYRF-ZOQUXTDFSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
257.2
MW (Da)
-1.91
ALogP
8
HBA
3
HBD
119.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.75
IC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase | 22516671 |
| Hepatitis C virus | EC50 | = | 1800.0 | nM | 5.75 | Antiviral activity against Hepatitis C virus infected in human Huh7 AVA5 cells b... | 18082410 |
| NON-PROTEIN TARGET | IC50 | = | 3800.0 | nM | 5.42 | Inhibitory concentration against hepatitis C virus NS5B-mediated RNA synthesis i... | 15715486 |
| Unchecked | EC50 | = | 21000.0 | nM | 4.68 | Effective concentration against hepatitis C virus RNA replication in a subgenomi... | 15715486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15715486 | 10.1021/jm0495172 | Unchecked | 3 |
| 15715486 | 10.1021/jm0495172 | NON-PROTEIN TARGET | 2 |
| 15715486 | 10.1021/jm0495172 | Huh-7 | 2 |
| 18082410 | 10.1016/j.bmc.2007.11.082 | ADMET | 1 |
| 18082410 | 10.1016/j.bmc.2007.11.082 | Hepatitis C virus | 1 |
| 22516671 | 10.1016/j.bmc.2012.03.049 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine