Compound Detail
CHEMBL5195656
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Basic Information
| ChEMBL ID | CHEMBL5195656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAZGKZKQQSCVMM-VYDXJSESSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
1.67
ALogP
5
HBA
3
HBD
113.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.46
EC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Feline infectious peritonitis virus CHEMBL2367270 | EC50 | 7.05 | 7.05 | 90.0 | 1 |
| Murine hepatitis virus CHEMBL613733 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
| Middle East respiratory syndrome-related coronavirus CHEMBL4296578 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| SARS-CoV CHEMBL4303836 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Feline infectious peritonitis virus | EC50 | = | 90.0 | nM | 7.05 | Antiviral activity against FIPV by cell based assay | 35604326 |
| Murine hepatitis virus | EC50 | = | 120.0 | nM | 6.92 | Antiviral activity against MHV by cell based assay | 35604326 |
| Middle East respiratory syndrome-related coronavirus | IC50 | = | 350.0 | nM | 6.46 | Antiviral activity against MERS-CoV by enzymatic assay | 35604326 |
| SARS-CoV-2 | IC50 | = | 3700.0 | nM | 5.43 | Antiviral activity against SARS-CoV-2 by enzymatic assay | 35604326 |
| SARS-CoV | IC50 | = | 3900.0 | nM | 5.41 | Antiviral activity against SARS-CoV by enzymatic assay | 35604326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35604326 | 10.1021/acs.jmedchem.2c00123 | Middle East respiratory syndrome-related coronavirus | 2 |
| 35604326 | 10.1021/acs.jmedchem.2c00123 | SARS-CoV-2 | 2 |
| 35604326 | 10.1021/acs.jmedchem.2c00123 | SARS-CoV | 1 |
| 35604326 | 10.1021/acs.jmedchem.2c00123 | Murine hepatitis virus | 1 |
| 35604326 | 10.1021/acs.jmedchem.2c00123 | Feline infectious peritonitis virus | 1 |
Data from ChEMBL 36 via Core Engine