Compound Detail
CHEMBL3105073
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Basic Information
| ChEMBL ID | CHEMBL3105073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGYDYUNBWSVWEX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.3
MW (Da)
4.76
ALogP
4
HBA
1
HBD
24.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL5118 | IC50 | 6.8 | 5.92 | 160.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 160.0 | nM | 6.8 | Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-... | 24332657 |
| Replicase polyprotein 1ab | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-... | 24332657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24332657 | 10.1016/j.bmc.2013.11.041 | Replicase polyprotein 1ab | 3 |
| 24332657 | 10.1016/j.bmc.2013.11.041 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine