Compound Detail
CHEMBL148483
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Basic Information
| ChEMBL ID | CHEMBL148483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUFAZQGZSQBRME-UHFFFAOYSA-N |
3
Targets
8
Activities
3
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
-0.06
ALogP
3
HBA
1
HBD
80.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.46
EC50 1 meas. best 4.18
IC50 1 meas. best 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus CHEMBL613749 | Ki | 7.46 | 7.315 | 35.0 | 4 |
| HeLa CHEMBL399 | EC50 | 4.18 | 4.18 | 66000.0 | 1 |
| Replicase polyprotein 1a CHEMBL3927 | IC50 | 4.15 | 4.15 | 71000.0 | 1 |
| Replicase polyprotein 1a CHEMBL3927 | Ki | 4.15 | 4.145 | 71000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus | Ki | = | 35.0 | nM | 7.46 | Compound was tested for the inhibitory activity of compound towards human rhinov... | 8978838 |
| Enterovirus | Ki | = | 40.0 | nM | 7.4 | Compound was tested for the inhibitory activity of compound towards human rhinov... | 8978838 |
| Enterovirus | Ki | = | 51.0 | nM | 7.29 | Compound was tested for the inhibitory activity of compound towards human rhinov... | 8978838 |
| Enterovirus | Ki | = | 77.0 | nM | 7.11 | Compound was tested for the inhibitory activity of compound towards human rhinov... | 8978838 |
| HeLa | EC50 | = | 66000.0 | nM | 4.18 | Compound was tested for the antiviral activity against Human Rhinovirus -14(HRV-... | 8978838 |
| Replicase polyprotein 1a | IC50 | = | 71000.0 | nM | 4.15 | Inhibition of SARS CoV 3C-like protease | 16759084 |
| Replicase polyprotein 1a | Ki | = | 71000.0 | nM | 4.15 | Inhibition of SARS CoV 3C-like protease | 16759084 |
| Replicase polyprotein 1a | Ki | = | 72443.6 | nM | 4.14 | Inhibition of SARS CoV 3C-like protease | 16759084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978838 | 10.1021/jm960603e | Enterovirus | 4 |
| 16759084 | 10.1021/jm0602357 | Replicase polyprotein 1a | 3 |
| 8978838 | 10.1021/jm960603e | HeLa | 2 |
| 8978838 | 10.1021/jm960603e | NON-PROTEIN TARGET | 1 |
| 8978838 | 10.1021/jm960603e | Serine protease 1 | 1 |
| 8978838 | 10.1021/jm960603e | Chymotrypsinogen A | 1 |
| 8978838 | 10.1021/jm960603e | Prothrombin | 1 |
| 8978838 | 10.1021/jm960603e | Neutrophil elastase | 1 |
| 8978838 | 10.1021/jm960603e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine