Compound Detail
CHEMBL5194350
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
CCn1cc2cc(Nc3nc(=O)n(Cc4ncn(C)n4)c(=O)n3Cc3cc(F)c(F)cc3F)c(Cl)cc2n1
Basic Information
| ChEMBL ID | CHEMBL5194350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSRQNNDOHLXRFS-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
545.9
MW (Da)
2.81
ALogP
11
HBA
1
HBD
117.5
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.27
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 6.27 | 6.27 | 533.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 14.0 | nM | 7.85 | Inhibition of recombinant SARS-CoV-2 main protease usingDABCYLKTSAVLQSGFRKME(EDA... | 36105344 |
| SARS-CoV-2 | EC50 | = | 533.0 | nM | 6.27 | Antiviral activity against SARS-CoV-2 infected in African green monkey VeroE6 ce... | 36105344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36105344 | 10.1021/acsmedchemlett.2c00349 | Replicase polyprotein 1ab | 1 |
| 36105344 | 10.1021/acsmedchemlett.2c00349 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine