Compound Detail
CHEMBL610413
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Basic Information
| ChEMBL ID | CHEMBL610413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQFIMRNAPJCWPA-MKSMHYHASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
391.2
MW (Da)
-2.35
ALogP
9
HBA
5
HBD
160.6
PSA (Ų)
0.21
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 4.5 | 4.5 | 32000.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 4.2 | 4.2 | 62500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 32000.0 | nM | 4.5 | Inhibition of viral cytopathic effect in infected human foreskin fibroblast cell... | 11585457 |
| Human alphaherpesvirus 1 | EC50 | = | 62500.0 | nM | 4.2 | Inhibition of plaque formation in monolayers of HSV-1 KOS Vero cells by 50% | 11585457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11585457 | 10.1021/jm010226s | Human alphaherpesvirus 1 | 3 |
| 11585457 | 10.1021/jm010226s | Human alphaherpesvirus 2 | 2 |
| 11585457 | 10.1021/jm010226s | Human alphaherpesvirus 3 | 1 |
| 11585457 | 10.1021/jm010226s | Hepatitis B virus | 1 |
Data from ChEMBL 36 via Core Engine