Compound Detail
CHEMBL5177329
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Basic Information
| ChEMBL ID | CHEMBL5177329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISRJNUVURXPOJZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
2.28
ALogP
5
HBA
2
HBD
77.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 5.75 | 5.75 | 1767.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 1767.0 | nM | 5.75 | Inhibition of SARS-CoV-2 main protease using Mca-AVLQSGFRK(Dnp)K as substrate pr... | 34998903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34998903 | 10.1016/j.bmcl.2022.128526 | Replicase polyprotein 1ab | 2 |
Data from ChEMBL 36 via Core Engine