Compound Detail
CHEMBL5958790
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CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N(C(=O)[C@@H]1C[C@@H](C(F)(F)F)CN1)[C@H](C#N)C[C@@H]1CCNC1=O
Basic Information
| ChEMBL ID | CHEMBL5958790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXPFKYBINQAOCO-ZUWCUPBKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
527.5
MW (Da)
1.39
ALogP
6
HBA
3
HBD
131.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | Ki | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | Ki | = | 4.0 | nM | 8.4 | SARS-CoV-2 Coronavirus 3C Protease FRET Assay: The proteolytic activity of the m... | - |
Data from ChEMBL 36 via Core Engine