Compound Detail
CHEMBL368341
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Basic Information
| ChEMBL ID | CHEMBL368341 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHHOTKZTEUZTHX-SHYZEUOFSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
227.2
MW (Da)
-1.53
ALogP
7
HBA
3
HBD
110.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
EC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 80.0 | nM | 7.1 | Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase | 22516671 |
| NON-PROTEIN TARGET | IC50 | = | 1200.0 | nM | 5.92 | Inhibitory concentration against hepatitis C virus NS5B-mediated RNA synthesis i... | 15715486 |
| Unchecked | EC50 | = | 25000.0 | nM | 4.6 | Effective concentration against hepatitis C virus RNA replication in a subgenomi... | 15715486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15715486 | 10.1021/jm0495172 | NON-PROTEIN TARGET | 2 |
| 1995894 | 10.1021/jm00106a034 | CCRF-CEM | 1 |
| 1995894 | 10.1021/jm00106a034 | L1210 | 1 |
| 1995894 | 10.1021/jm00106a034 | P388 | 1 |
| 1995894 | 10.1021/jm00106a034 | CCRF S-180 | 1 |
| 15715486 | 10.1021/jm0495172 | Unchecked | 1 |
| 22516671 | 10.1016/j.bmc.2012.03.049 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine