Compound Detail
CHEMBL5205379
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Basic Information
| ChEMBL ID | CHEMBL5205379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJUXXCZPUDMSSD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
456.9
MW (Da)
6.02
ALogP
6
HBA
2
HBD
72.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | EC50 | 4.79 | 4.79 | 16100.0 | 1 |
| Lyssavirus rabies CHEMBL4513192 | EC50 | 4.45 | 4.45 | 35400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | EC50 | = | 16100.0 | nM | 4.79 | Antiviral activity against S-protein based pseudotyped SARS-CoV-2 infected in Hu... | 35279610 |
| Lyssavirus rabies | EC50 | = | 35400.0 | nM | 4.45 | Antirabies activity against rabies CVS infected in golden hamster BSR cells prei... | 35279610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35279610 | 10.1016/j.ejmech.2022.114209 | ADMET | 2 |
| 35279610 | 10.1016/j.ejmech.2022.114209 | Unchecked | 1 |
| 35279610 | 10.1016/j.ejmech.2022.114209 | Lyssavirus rabies | 1 |
| 35279610 | 10.1016/j.ejmech.2022.114209 | Huh-7 | 1 |
| 35279610 | 10.1016/j.ejmech.2022.114209 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine