Compound Detail
CHEMBL3964347
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Basic Information
| ChEMBL ID | CHEMBL3964347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMIGAQUBRPEFDM-UHFFFAOYSA-N |
4
Targets
7
Activities
3
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
292.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.92
EC50 1 meas. best 4.78
Ki 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.92 | 6.74 | 12.1 | 2 |
| Unchecked CHEMBL612545 | Ki | 7.62 | 7.62 | 24.1 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 5.56 | 5.56 | 2779.7 | 2 |
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 4.96 | 4.96 | 10900.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 4.78 | 4.78 | 16700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12.1 | nM | 7.92 | Inhibition of Proteus mirabilis PCM 543 Urease in PBS buffer measured for 1.5 hr... | 36661843 |
| Unchecked | Ki | = | 24.1 | nM | 7.62 | Competitive inhibition of Sporosarcina pasteurii Urease assessed as inhibition c... | 36661843 |
| Unchecked | IC50 | = | 2780.0 | nM | 5.56 | Inhibition of GST-tagged SARS-CoV-2 main protease expressed in Escherichia coli ... | 34570513 |
| Replicase polyprotein 1ab | IC50 | = | 2780.0 | nM | 5.56 | Inhibition of recombinant SARS CoV-2 main protease by FRET assay | 38925524 |
| Replicase polyprotein 1ab | IC50 | = | 2779.71 | nM | 5.56 | Inhibition of recombinant SARS CoV-2 main protease by FRET assay | 38925524 |
| Methionine aminopeptidase 2 | IC50 | = | 10900.0 | nM | 4.96 | Non-covalent/mixed type inhibition of recombinant human MetAP2 using Met-AMC as ... | 27692546 |
| SARS-CoV-2 | EC50 | = | 16700.0 | nM | 4.78 | Antiviral activity against SARS-CoV-2 USA_WA1/2020 infected in African green mon... | 34570513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36661843 | 10.1021/acs.jmedchem.2c01799 | Unchecked | 4 |
| 27692546 | 10.1016/j.bmcl.2016.09.050 | Aminopeptidase N | 2 |
| 38925524 | 10.1016/j.bmcl.2024.129852 | Replicase polyprotein 1ab | 2 |
| 27692546 | 10.1016/j.bmcl.2016.09.050 | Leucine aminopeptidase | 1 |
| 27692546 | 10.1016/j.bmcl.2016.09.050 | Methionine aminopeptidase 2 | 1 |
| 34570513 | 10.1021/acs.jmedchem.1c00566 | Unchecked | 1 |
| 34570513 | 10.1021/acs.jmedchem.1c00566 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine