Compound Detail
CHEMBL5429031
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Basic Information
| ChEMBL ID | CHEMBL5429031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCYXFUHOGHWAGX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
347.2
MW (Da)
3.32
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vaccinia virus CHEMBL613493 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vaccinia virus | IC50 | = | 300.0 | nM | 6.52 | 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 |
Data from ChEMBL 36 via Core Engine