Compound Detail
CHEMBL406516
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CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL406516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDLFIYNGGUUVLF-GLMUFQRRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
634.7
MW (Da)
3.83
ALogP
6
HBA
4
HBD
142.7
PSA (Ų)
0.23
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1a CHEMBL3927 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1a | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of SARS coronavirus Chymotrypsin-like protease | 23747811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23747811 | 10.1016/j.ejmech.2013.05.005 | Replicase polyprotein 1a | 1 |
Data from ChEMBL 36 via Core Engine