Compound Detail
CHEMBL5405806
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Basic Information
| ChEMBL ID | CHEMBL5405806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXQUGSXUDFTPLL-ZCFIWIBFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
261.2
MW (Da)
-0.62
ALogP
7
HBA
2
HBD
116.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cowpox virus CHEMBL612672 | EC50 | 4.32 | 4.32 | 48300.0 | 1 |
| Vaccinia virus CHEMBL613493 | EC50 | 4.3 | 4.3 | 50600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cowpox virus | EC50 | = | 48300.0 | nM | 4.32 | Antiviral activity against Cowpox virus infected in Vero cells measured after 4 ... | 36961984 |
| Vaccinia virus | EC50 | = | 50600.0 | nM | 4.3 | Antiviral activity against Vaccinia virus infected in African green monkey Vero ... | 36961984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36961984 | 10.1021/acs.jmedchem.3c00069 | Vaccinia virus | 1 |
| 36961984 | 10.1021/acs.jmedchem.3c00069 | Cowpox virus | 1 |
Data from ChEMBL 36 via Core Engine