Compound Detail
CHEMBL5431694
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Basic Information
| ChEMBL ID | CHEMBL5431694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIHSNLLHTSMMDJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
496.7
MW (Da)
2.72
ALogP
8
HBA
2
HBD
109.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rhinovirus A16 CHEMBL613769 | EC50 | 6.25 | 6.25 | 560.0 | 1 |
| rhinovirus B14 CHEMBL613759 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| rhinovirus A21 CHEMBL612371 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| rhinovirus A16 | EC50 | = | 560.0 | nM | 6.25 | Antiviral activity against Human rhinovirus 16 infected in human H1-HeLa cells i... | 38389877 |
| rhinovirus B14 | EC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against Human rhinovirus 14 infected in human H1-HeLa cells i... | 38389877 |
| rhinovirus A21 | EC50 | = | 1800.0 | nM | 5.75 | Antiviral activity against Human rhinovirus A21 infected in human H1-HeLa cells ... | 38389877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38389877 | 10.1039/d3md00630a | ADMET | 3 |
| 38389877 | 10.1039/d3md00630a | H1-HeLa | 1 |
| 38389877 | 10.1039/d3md00630a | rhinovirus B14 | 1 |
| 38389877 | 10.1039/d3md00630a | rhinovirus A16 | 1 |
| 38389877 | 10.1039/d3md00630a | rhinovirus A21 | 1 |
Data from ChEMBL 36 via Core Engine