Compound Detail
CHEMBL5566430
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O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)NCCc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL5566430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMZQYVMNDRBKLO-SDHOMARFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
1.86
ALogP
5
HBA
4
HBD
120.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | EC50 | 7.05 | 6.755 | 88.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | EC50 | = | 88.1 | nM | 7.05 | Antiviral activity against SARS CoV-2 GFP infected in african green monkey Vero ... | 38630165 |
| SARS-CoV-2 | EC50 | = | 350.8 | nM | 6.46 | Antiviral activity against SARS CoV-2 GFP infected in african green monkey Vero ... | 38630165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38630165 | 10.1021/acs.jmedchem.3c02351 | SARS-CoV-2 | 2 |
| 38630165 | 10.1021/acs.jmedchem.3c02351 | Procathepsin L | 2 |
Data from ChEMBL 36 via Core Engine