Compound Detail
CHEMBL4779305
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Basic Information
| ChEMBL ID | CHEMBL4779305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVUUCSBAXFGUGQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
429.3
MW (Da)
4.07
ALogP
8
HBA
0
HBD
100.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coxsackievirus B3 CHEMBL613554 | IC50 | 6.66 | 5.71 | 217.0 | 3 |
| rhinovirus B14 CHEMBL613759 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coxsackievirus B3 | IC50 | = | 217.0 | nM | 6.66 | Antiviral activity against wild type Coxsackievirus B3 97927 infected in human H... | 31881489 |
| rhinovirus B14 | IC50 | = | 500.0 | nM | 6.3 | Antiviral activity against Rhinovirus B14 infected in human HeLa cell line asses... | 31881489 |
| Coxsackievirus B3 | IC50 | = | 1350.0 | nM | 5.87 | Antiviral activity against pleconaril-resistant Coxsackievirus B3 97927 11207M/I... | 31881489 |
| Coxsackievirus B3 | IC50 | = | 24900.0 | nM | 4.6 | Antiviral activity against pleconaril-resistant Coxsackievirus B3 97927 11207T/I... | 31881489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31881489 | 10.1016/j.ejmech.2019.112007 | Coxsackievirus B3 | 5 |
| 31881489 | 10.1016/j.ejmech.2019.112007 | HeLa | 1 |
| 31881489 | 10.1016/j.ejmech.2019.112007 | rhinovirus A2 | 1 |
| 31881489 | 10.1016/j.ejmech.2019.112007 | rhinovirus B5 | 1 |
| 31881489 | 10.1016/j.ejmech.2019.112007 | rhinovirus B14 | 1 |
Data from ChEMBL 36 via Core Engine