Compound Detail
CHEMBL5200563
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Basic Information
| ChEMBL ID | CHEMBL5200563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQEGTEPOCXXOMO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
511.7
MW (Da)
5.90
ALogP
6
HBA
0
HBD
47.1
PSA (Ų)
0.25
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | EC50 | 4.45 | 4.45 | 35900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | EC50 | = | 35900.0 | nM | 4.45 | Antiviral activity against SARS-CoV-2 infected in eGFP expressing African green ... | 35571875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35571875 | 10.1021/acsmedchemlett.2c00123 | SARS-CoV-2 | 1 |
| 35571875 | 10.1021/acsmedchemlett.2c00123 | Vero C1008 | 1 |
| 35571875 | 10.1021/acsmedchemlett.2c00123 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine