Compound Detail
CHEMBL5742743
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COC(=O)N[C@H](C(=O)N(C(=O)[C@@H]1C[C@@H](C(F)(F)F)CN1)[C@H](C#N)C[C@@H]1CCNC1=O)C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL5742743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZQMFRGAGVCQAU-AIEDFZFUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
1.07
ALogP
7
HBA
3
HBD
140.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | Ki | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | Ki | = | 3.0 | nM | 8.52 | SARS-CoV-2 Coronavirus 3C Protease FRET Assay: The proteolytic activity of the m... | - |
Data from ChEMBL 36 via Core Engine