Compound Detail
CHEMBL368391
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Basic Information
| ChEMBL ID | CHEMBL368391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWABGUWWIRPFGV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
3.02
ALogP
6
HBA
2
HBD
103.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | EC50 | = | 12000.0 | nM | 4.92 | Effective concentration to inhibit 50% of herpes simplex virus type 1 replicatio... | 15658867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658867 | 10.1021/jm034265a | Unchecked | 2 |
| 15658867 | 10.1021/jm034265a | Hepatitis B virus | 1 |
| 15658867 | 10.1021/jm034265a | Hepatitis C virus | 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 |
| 15658867 | 10.1021/jm034265a | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine