Compound Detail
CHEMBL5266355
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Basic Information
| ChEMBL ID | CHEMBL5266355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZJDTYZIHCOMMO-UHFFFAOYSA-N |
2
Targets
6
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
278.2
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.16
Ki 2 meas. best 7.51
EC50 1 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | Ki | 7.51 | 7.51 | 31.0 | 2 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 7.16 | 7.14 | 70.0 | 3 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 5.33 | 5.33 | 4670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | Ki | = | 31.0 | nM | 7.51 | Binding affinity to SARS-CoV-2 Main protease assessed as inhibition constant | 36169610 |
| Replicase polyprotein 1ab | Ki | = | 31.0 | nM | 7.51 | Inhibition of SARS CoV-2 Main protease using MCA-AVLQSGFR-Lys(DNP)-Lys-NH2 pepti... | 34798775 |
| Replicase polyprotein 1ab | IC50 | = | 70.0 | nM | 7.16 | Inhibition of N-terminal SARS-CoV-2 Main protease expressed in Escherichia coli ... | 37244162 |
| Replicase polyprotein 1ab | IC50 | = | 74.0 | nM | 7.13 | Inhibition of SARS-CoV-2 Main protease expressed in Escherichia coli BL21-Gold (... | 36169610 |
| Replicase polyprotein 1ab | IC50 | = | 74.0 | nM | 7.13 | Inhibition of SARS CoV-2 Main protease using MCA-AVLQSGFR-Lys(DNP)-Lys-NH2 pepti... | 34798775 |
| SARS-CoV-2 | EC50 | = | 4670.0 | nM | 5.33 | Antiviral activity against SARS CoV-2 assessed as inhibition of viral growth | 34798775 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36169610 | 10.1021/acs.jmedchem.2c01005 | Replicase polyprotein 1ab | 3 |
| 34798775 | 10.1021/acs.jmedchem.1c00409 | Replicase polyprotein 1ab | 2 |
| 34798775 | 10.1021/acs.jmedchem.1c00409 | ADMET | 1 |
| 34798775 | 10.1021/acs.jmedchem.1c00409 | SARS-CoV-2 | 1 |
| 37244162 | 10.1016/j.ejmech.2023.115491 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine