Compound Detail
CHEMBL374302
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Basic Information
| ChEMBL ID | CHEMBL374302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYWDNVOMIGEONH-ADPPZMDZSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
387.2
MW (Da)
2.15
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cowpox virus CHEMBL612672 | EC50 | 7.52 | 6.87 | 30.0 | 2 |
| Vaccinia virus CHEMBL613493 | EC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cowpox virus | EC50 | = | 30.0 | nM | 7.52 | Antiviral activity against CDV-resistant cowpox virus by CPE assay | 17335190 |
| Vaccinia virus | EC50 | = | 50.0 | nM | 7.3 | Antiviral activity against vaccinia virus IHD-J in BSC40 cells by CPE assay | 17335190 |
| Cowpox virus | EC50 | = | 600.0 | nM | 6.22 | Antiviral activity against cowpox virus by CPE assay | 17335190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17335190 | 10.1021/jm061484y | Cowpox virus | 2 |
| 17335190 | 10.1021/jm061484y | Vaccinia virus | 1 |
| 17335190 | 10.1021/jm061484y | ADMET | 1 |
Data from ChEMBL 36 via Core Engine