Compound Detail
CHEMBL5408364
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Basic Information
| ChEMBL ID | CHEMBL5408364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNWZUDGPCIDWAA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.7
MW (Da)
4.46
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1563.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1573.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 1354.63 | nM | Mus musculus |
| MRT | 5.45 | hr | Mus musculus |
| T1/2 | 3.1 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | EC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against SARS-CoV-2 infected in African green monkey Vero E6 c... | 37058956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37058956 | 10.1016/j.ejmech.2023.115320 | ADMET | 6 |
| 37058956 | 10.1016/j.ejmech.2023.115320 | SARS-CoV-2 | 2 |
| 37058956 | 10.1016/j.ejmech.2023.115320 | Vero C1008 | 1 |
Data from ChEMBL 36 via Core Engine