Compound Detail
CHEMBL220098
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL220098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOHVZYYJHRCWBD-UHPCZEEKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
0.78
ALogP
4
HBA
1
HBD
79.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Camelpox virus CHEMBL613332 | EC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Variola virus CHEMBL613494 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Camelpox virus | EC50 | = | 4200.0 | nM | 5.38 | Antiviral activity against camelpox virus by CPE assay | 17335190 |
| Variola virus | EC50 | = | 10000.0 | nM | 5.0 | Antiviral activity against variola virus BUT virus by CPE assay | 17335190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17335190 | 10.1021/jm061484y | Cowpox virus | 2 |
| 17335190 | 10.1021/jm061484y | Variola virus | 2 |
| 17335190 | 10.1021/jm061484y | Vaccinia virus | 1 |
| 17335190 | 10.1021/jm061484y | ADMET | 1 |
| 17335190 | 10.1021/jm061484y | Monkeypox virus | 1 |
| 17335190 | 10.1021/jm061484y | Camelpox virus | 1 |
Data from ChEMBL 36 via Core Engine