Compound Detail
CHEMBL3983492
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Basic Information
| ChEMBL ID | CHEMBL3983492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKKQSDGDCNBMFN-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
304.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.38
Ki 1 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.27 | 8.27 | 5.4 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.59 | 6.5867 | 256.0 | 3 |
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 5.0 | 5.0 | 9980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.19 | nM | 8.38 | Inhibition of Proteus mirabilis PCM 543 Urease in PBS buffer measured for 1.5 hr... | 36661843 |
| Unchecked | Ki | = | 5.36 | nM | 8.27 | Competitive inhibition of Sporosarcina pasteurii Urease assessed as inhibition c... | 36661843 |
| Replicase polyprotein 1ab | IC50 | = | 256.0 | nM | 6.59 | Inhibition of SARS-CoV-2 papain-like protease preincubated for 60 mins | 35620927 |
| Replicase polyprotein 1ab | IC50 | = | 256.0 | nM | 6.59 | Inhibition of SARS-CoV-2 PLpro | 36503248 |
| Replicase polyprotein 1ab | IC50 | = | 260.0 | nM | 6.58 | Inhibition of recombinant SARS CoV-2 PL protease incubated for 60 mins by fluore... | 33186044 |
| Methionine aminopeptidase 2 | IC50 | = | 9980.0 | nM | 5.0 | Non-covalent/mixed type inhibition of recombinant human MetAP2 using Met-AMC as ... | 27692546 |
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 |
| 38631262 | 10.1016/j.ejmech.2024.116404 | ADMET | 2 |
| 27692546 | 10.1016/j.bmcl.2016.09.050 | Methionine aminopeptidase 2 | 1 |
| 27692546 | 10.1016/j.bmcl.2016.09.050 | Leucine aminopeptidase | 1 |
| 33186044 | 10.1021/acs.jmedchem.0c01140 | Replicase polyprotein 1ab | 1 |
| 35620927 | 10.1021/acs.jmedchem.2c00303 | Replicase polyprotein 1ab | 1 |
| 36503248 | 10.1021/acs.jmedchem.2c00954 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine