Compound Detail
CHEMBL5283942
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C[C@H](NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccco1)c1ccc(-c2ccccc2)cc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5283942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPUHGDZPGJDUJN-QXNWPYRLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
7.21
ALogP
3
HBA
1
HBD
62.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 0.2 | nM | 9.7 | Inhibition of SARS-CoV-2 main protease by FRET analysis | 36924946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36924946 | 10.1016/j.bmcl.2023.129238 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine