Compound Detail
CHEMBL279889
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CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SCc1ccccc1)C(C)C)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL279889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHSCMFHCLMFTFB-BPUKTADQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
595.8
MW (Da)
4.34
ALogP
7
HBA
3
HBD
144.7
PSA (Ų)
0.18
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus A protease CHEMBL2857 | EC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus A protease | EC50 | = | 190.0 | nM | 6.72 | Increased percentage of formazan production in drug treated virus infected cells... | 10197964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10197964 | 10.1021/jm980537b | Human rhinovirus A protease | 2 |
| 10197964 | 10.1021/jm980537b | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine