Compound Detail
CHEMBL305321
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CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL305321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHMOHBHADBLFMA-OTSNLXBQSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
594.7
MW (Da)
2.92
ALogP
7
HBA
4
HBD
165.9
PSA (Ų)
0.16
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus A protease CHEMBL2857 | EC50 | 6.27 | 5.826 | 540.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus A protease | EC50 | = | 540.0 | nM | 6.27 | Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C | 11985469 |
| Human rhinovirus A protease | EC50 | = | 600.0 | nM | 6.22 | 50% effective concentration required to inhibit Human Rhinovirus 10 Protease 3C | 11985469 |
| Human rhinovirus A protease | EC50 | = | 1600.0 | nM | 5.8 | 50% effective concentration required to inhibit Human Rhinovirus 2 Protease 3C | 11985469 |
| Human rhinovirus A protease | EC50 | = | 2300.0 | nM | 5.64 | 50% effective concentration required to inhibit Human Rhinovirus 16 Protease 3C | 11985469 |
| Human rhinovirus A protease | EC50 | = | 6300.0 | nM | 5.2 | 50% effective concentration required to inhibit Human Rhinovirus 89 Protease 3C | 11985469 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11985469 | 10.1021/jm010435c | Human rhinovirus A protease | 10 |
| 11985469 | 10.1021/jm010435c | HeLa | 1 |
Data from ChEMBL 36 via Core Engine