Compound Detail
CHEMBL42513
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CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)C(C)(C)C)c1=O
Basic Information
| ChEMBL ID | CHEMBL42513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIXJAZSEHYMHES-SLHYTYBUSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
2.49
ALogP
7
HBA
3
HBD
149.6
PSA (Ų)
0.29
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.29
IC50 1 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus A protease CHEMBL2857 | EC50 | 6.29 | 6.29 | 518.0 | 1 |
| Human rhinovirus sp. CHEMBL612470 | IC50 | 6.29 | 6.29 | 518.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus A protease | EC50 | = | 518.0 | nM | 6.29 | Inhibition of HRV Protease 3CP (serotype 14). | 11931615 |
| Human rhinovirus sp. | IC50 | = | 518.0 | nM | 6.29 | Antiviral activity against Human rhinovirus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11931615 | 10.1021/jm010469k | Human rhinovirus A protease | 3 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human rhinovirus sp. | 1 |
Data from ChEMBL 36 via Core Engine