Compound Detail
CHEMBL180214
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Basic Information
| ChEMBL ID | CHEMBL180214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBLSXGLXVIURDS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
3.05
ALogP
6
HBA
2
HBD
117.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | EC50 | = | 800.0 | nM | 6.1 | Effective concentration to inhibit 50% of herpes simplex virus type 1 replicatio... | 15658867 |
| Hepatitis C virus | EC50 | = | 3000.0 | nM | 5.52 | Effective concentration to inhibit 50% of hepatitis C virus replication in a cel... | 15658867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658867 | 10.1021/jm034265a | Hepatitis C virus | 2 |
| 15658867 | 10.1021/jm034265a | Unchecked | 2 |
| 15658867 | 10.1021/jm034265a | Hepatitis B virus | 1 |
| 15658867 | 10.1021/jm034265a | CCRF-CEM | 1 |
| 15658867 | 10.1021/jm034265a | Human alphaherpesvirus 1 | 1 |
| 15658867 | 10.1021/jm034265a | Human alphaherpesvirus 2 | 1 |
| 15658867 | 10.1021/jm034265a | Human gammaherpesvirus 4 | 1 |
| 15658867 | 10.1021/jm034265a | MT2 | 1 |
Data from ChEMBL 36 via Core Engine