Compound Detail
CHEMBL5200024
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
Cn1cc2cc(Nc3nc(=O)n(-c4cncc5c4COC5)c(=O)n3Cc3cc(Cl)c(F)cc3F)c(Cl)cc2n1
Basic Information
| ChEMBL ID | CHEMBL5200024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMQBQICRPJDOGW-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
572.4
MW (Da)
4.08
ALogP
10
HBA
1
HBD
108.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.17
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 12.0 | nM | 7.92 | Inhibition of recombinant SARS-CoV-2 main protease usingDABCYLKTSAVLQSGFRKME(EDA... | 36105344 |
| SARS-CoV-2 | EC50 | = | 680.0 | nM | 6.17 | 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