Compound Detail
CHEMBL5287622
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CC(C)C[C@H](NC(=O)/C=C\c1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCCNC1=O
Basic Information
| ChEMBL ID | CHEMBL5287622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGSZEJLOKWOQSW-AEPYXYJISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
1.83
ALogP
4
HBA
3
HBD
104.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.28 | 7.28 | 53.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 53.0 | nM | 7.28 | Binding affinity to SARS CoV Main protease incubated for 10 mins by FRET assay | 34798775 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34798775 | 10.1021/acs.jmedchem.1c00409 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine