Compound Detail
CHEMBL5633930
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Basic Information
| ChEMBL ID | CHEMBL5633930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAXBTMOXVUBTMT-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
447.4
MW (Da)
1.80
ALogP
6
HBA
3
HBD
118.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.54
IC50 1 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 370.0 | nM | 6.43 | Inhibition of recombinant full length his tagged C-terminal SARS-CoV 2 main prot... | 37633203 |
| SARS-CoV-2 | EC50 | = | 29000.0 | nM | 4.54 | Antiviral activity against SARS CoV-2 (hCoV-19/Korea/KCDC06/2020) infected in hu... | 37633203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37633203 | 10.1016/j.ejmech.2023.115720 | Replicase polyprotein 1ab | 1 |
| 37633203 | 10.1016/j.ejmech.2023.115720 | SARS-CoV-2 | 1 |
| 37633203 | 10.1016/j.ejmech.2023.115720 | Calu-3 | 1 |
| 37633203 | 10.1016/j.ejmech.2023.115720 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine