Compound Detail
CHEMBL479531
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CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)/C=C/c1ccc2c(c1)OCO2
Basic Information
| ChEMBL ID | CHEMBL479531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVRKNEXEKCRGPU-ZNKHKNALSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
1.56
ALogP
6
HBA
2
HBD
103.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.74
IC50 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus A protease CHEMBL2857 | EC50 | 5.74 | 5.74 | 1810.0 | 1 |
| Human rhinovirus sp. CHEMBL612470 | IC50 | 5.74 | 5.74 | 1810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus A protease | EC50 | = | 1810.0 | nM | 5.74 | Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C | 11985469 |
| Human rhinovirus sp. | IC50 | = | 1810.0 | nM | 5.74 | Antiviral activity against Human rhinovirus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11985469 | 10.1021/jm010435c | Human rhinovirus A protease | 2 |
| 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