Compound Detail
CHEMBL5280512
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Basic Information
| ChEMBL ID | CHEMBL5280512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMBAEYGTXNTGBB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.57
ALogP
5
HBA
0
HBD
44.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 5.81 | 5.81 | 1550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 1550.0 | nM | 5.81 | Inhibition of SARS-COV2 main protease using Mca-AVLQ-SGFR-K as substrate by Fluo... | 33486200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33486200 | 10.1016/j.ejmech.2021.113157 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine