Compound Detail
CHEMBL4289483
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Basic Information
| ChEMBL ID | CHEMBL4289483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEDKJQAQOOLPEW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
376.6
MW (Da)
5.18
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.59
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.89 | 4.89 | 13000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of Human coronavirus 3-chymotrypsin-like protease | 30286952 |
| Unchecked | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of SARS-CoV 3C-like protease using abz-SVTLQSG-Tyr(NO2)R as substrate... | 33007557 |
| Replicase polyprotein 1ab | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of SARS-CoV-2 3CL protease | 26878082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30286952 | 10.1016/j.bmcl.2018.09.019 | Unchecked | 1 |
| 33007557 | 10.1016/j.bmc.2020.115745 | Unchecked | 1 |
| 26878082 | 10.1021/acs.jmedchem.5b01461 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine