Compound Detail
CHEMBL5432253
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Basic Information
| ChEMBL ID | CHEMBL5432253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHNSVUFHLKJAAE-YTQWVHSASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
3.54
ALogP
3
HBA
1
HBD
72.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vaccinia virus CHEMBL613493 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| Ectromelia virus CHEMBL5291666 | EC50 | 6.39 | 6.39 | 410.0 | 1 |
| Cowpox virus CHEMBL612672 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vaccinia virus | EC50 | = | 30.0 | nM | 7.52 | Antiviral activity against Vaccinia virus Copenhagen infected in African green m... | 36961984 |
| Ectromelia virus | EC50 | = | 410.0 | nM | 6.39 | Antiviral activity against ectromelia virus K-1 infected in Vero cells | 36961984 |
| Cowpox virus | EC50 | = | 1400.0 | nM | 5.85 | Antiviral activity against Cowpox virus Grishak infected in African green monkey... | 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 |
| 36961984 | 10.1021/acs.jmedchem.3c00069 | Ectromelia virus | 1 |
Data from ChEMBL 36 via Core Engine