Compound Detail
CHEMBL3920474
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Basic Information
| ChEMBL ID | CHEMBL3920474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAOYSRBUEYWQNL-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
288.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.93
EC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.93 | 6.93 | 118.0 | 1 |
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.44 | 6.44 | 364.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 5.1 | 5.1 | 8010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 118.0 | nM | 6.93 | Inhibition of wild type Candida albicans Fructose-1,6-Bisphosphate Aldolase tran... | 35099959 |
| Methionine aminopeptidase 2 | IC50 | = | 320.0 | nM | 6.5 | Non-covalent/mixed type inhibition of recombinant human MetAP2 using Met-AMC as ... | 27692546 |
| Replicase polyprotein 1ab | IC50 | = | 364.0 | nM | 6.44 | Inhibition of SARS-CoV-2 MPro using protease substrate preincubated with enzyme ... | 37972434 |
| SARS-CoV-2 | EC50 | = | 8010.0 | nM | 5.1 | Antiviral activity against SARS-CoV-2 infected in African green monkey Vero E6 c... | 37972434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35099959 | 10.1021/acs.jmedchem.1c02102 | Candida albicans | 4 |
| 29894943 | 10.1016/j.ejmech.2018.06.007 | Escherichia coli | 3 |
| 27692546 | 10.1016/j.bmcl.2016.09.050 | Aminopeptidase N | 2 |
| 37972434 | 10.1016/j.bmc.2023.117531 | 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 |
| 29894943 | 10.1016/j.ejmech.2018.06.007 | Unchecked | 1 |
| 35099959 | 10.1021/acs.jmedchem.1c02102 | Unchecked | 1 |
| 34217061 | 10.1016/j.ejmech.2021.113621 | Human alphaherpesvirus 1 | 1 |
| 34217061 | 10.1016/j.ejmech.2021.113621 | Encephalomyocarditis virus | 1 |
| 37972434 | 10.1016/j.bmc.2023.117531 | SARS-CoV-2 | 1 |
| 37972434 | 10.1016/j.bmc.2023.117531 | Vero C1008 | 1 |
Data from ChEMBL 36 via Core Engine