Compound Detail
CHEMBL62681
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Basic Information
| ChEMBL ID | CHEMBL62681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWGUINYTRHIFSE-NDUHVBCRSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
2.58
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.82
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus A protease CHEMBL2857 | EC50 | 6.82 | 6.335 | 150.0 | 2 |
| Human rhinovirus sp. CHEMBL612470 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus A protease | EC50 | = | 150.0 | nM | 6.82 | Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C | 11985469 |
| Human rhinovirus sp. | IC50 | = | 150.0 | nM | 6.82 | Antiviral activity against Human rhinovirus | 19112024 |
| Human rhinovirus A protease | EC50 | = | 1400.0 | nM | 5.85 | 50% effective concentration required to inhibit Human Rhinovirus 2 Protease 3C | 11985469 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11985469 | 10.1021/jm010435c | Human rhinovirus A protease | 4 |
| 11985469 | 10.1021/jm010435c | HeLa | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human rhinovirus sp. | 1 |
Data from ChEMBL 36 via Core Engine