Compound Detail
CHEMBL44351
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CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)C2CCCO2)c1=O
Basic Information
| ChEMBL ID | CHEMBL44351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNCWKHYHMDXWHX-DKMKOVTGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
538.6
MW (Da)
1.62
ALogP
8
HBA
3
HBD
158.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus A protease CHEMBL2857 | EC50 | 5.75 | 5.75 | 1780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus A protease | EC50 | = | 1780.0 | nM | 5.75 | Inhibition of HRV Protease 3CP (serotype 14). | 11931615 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11931615 | 10.1021/jm010469k | Human rhinovirus A protease | 3 |
Data from ChEMBL 36 via Core Engine