Compound Detail
CHEMBL281163
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CCOC(=O)/C=C/[C@H](C[C@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL281163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKSWFUKRMNESOJ-ZFWZQOLVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
620.8
MW (Da)
3.19
ALogP
7
HBA
4
HBD
151.9
PSA (Ų)
0.17
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus A protease CHEMBL2857 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus A protease | EC50 | = | 1600.0 | nM | 5.8 | Increased percentage of formazan production in drug treated virus infected cells... | 10197965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10197965 | 10.1021/jm9805384 | Human rhinovirus A protease | 2 |
| 10197965 | 10.1021/jm9805384 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine