Compound Detail
CHEMBL5268979
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Basic Information
| ChEMBL ID | CHEMBL5268979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLVWIUIAWUKQQH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
225.3
MW (Da)
3.27
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.33
IC50 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.17 | 6.17 | 670.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 5.33 | 5.33 | 4670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 670.0 | nM | 6.17 | Inhibition of SARS-COV2 main protease using Mca-AVLQ-SGFR-K as substrate by Fluo... | 33486200 |
| SARS-CoV-2 | EC50 | = | 4670.0 | nM | 5.33 | Antiviral activity against SARS-CoV-2 infected in Vero E6 cells assessed as redu... | 33486200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33486200 | 10.1016/j.ejmech.2021.113157 | SARS-CoV-2 | 1 |
| 33486200 | 10.1016/j.ejmech.2021.113157 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine