Compound Detail
CHEMBL4794371
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 | CHEMBL4794371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJOQTQDAZWDEDT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
467.4
MW (Da)
3.42
ALogP
8
HBA
1
HBD
123.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coxsackievirus B3 CHEMBL613554 | IC50 | 4.79 | 4.4833 | 16070.0 | 3 |
| rhinovirus B14 CHEMBL613759 | IC50 | 4.74 | 4.74 | 18140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coxsackievirus B3 | IC50 | = | 16070.0 | nM | 4.79 | Antiviral activity against pleconaril-resistant Coxsackievirus B3 97927 11207M/I... | 31881489 |
| rhinovirus B14 | IC50 | = | 18140.0 | nM | 4.74 | Antiviral activity against Rhinovirus B14 infected in human HeLa cell line asses... | 31881489 |
| Coxsackievirus B3 | IC50 | = | 30140.0 | nM | 4.52 | Antiviral activity against wild type Coxsackievirus B3 97927 infected in human H... | 31881489 |
| Coxsackievirus B3 | IC50 | = | 73160.0 | nM | 4.14 | 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