Compound Detail
CHEMBL2041657
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Basic Information
| ChEMBL ID | CHEMBL2041657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDJUHWDKXGNQCB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
466.0
MW (Da)
6.02
ALogP
3
HBA
3
HBD
70.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| La Crosse virus CHEMBL612787 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
| Vaccinia virus CHEMBL613493 | EC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| La Crosse virus | EC50 | = | 80.0 | nM | 7.1 | Antiviral activity against La Crosse virus infected in african green monkey Vero... | 22664128 |
| Vaccinia virus | EC50 | = | 160.0 | nM | 6.8 | Antiviral activity against Vaccinia virus | 22664128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22664128 | 10.1016/j.bmcl.2012.05.035 | Vaccinia virus | 1 |
| 22664128 | 10.1016/j.bmcl.2012.05.035 | La Crosse virus | 1 |
Data from ChEMBL 36 via Core Engine