Compound Detail
CHEMBL433064
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CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)/C=C/c1cc2c(cc1Br)OCO2
Basic Information
| ChEMBL ID | CHEMBL433064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLLGWBRYYMMQJM-SCBYPRSLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
479.3
MW (Da)
2.32
ALogP
6
HBA
2
HBD
103.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus A protease CHEMBL2857 | EC50 | 6.31 | 6.31 | 490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus A protease | EC50 | = | 490.0 | nM | 6.31 | Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C | 11985469 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11985469 | 10.1021/jm010435c | Human rhinovirus A protease | 2 |
| 11985469 | 10.1021/jm010435c | HeLa | 1 |
Data from ChEMBL 36 via Core Engine