Compound Detail
CHEMBL5639436
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCOc1ccc2nc(NCC(=O)OC(C)(C)C)nc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c1
Basic Information
| ChEMBL ID | CHEMBL5639436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUJMUBBMXDOJKB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
530.5
MW (Da)
6.56
ALogP
7
HBA
2
HBD
85.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human coronavirus OC43 CHEMBL5209665 | EC50 | 5.45 | 5.45 | 3560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human coronavirus OC43 | EC50 | = | 3560.0 | nM | 5.45 | Antiviral activity against HCoV-OC43 infected in human NCI-H460 cells treated fo... | 37813064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37813064 | 10.1016/j.ejmech.2023.115831 | NCI-H460 | 1 |
| 37813064 | 10.1016/j.ejmech.2023.115831 | Human coronavirus OC43 | 1 |
| 37813064 | 10.1016/j.ejmech.2023.115831 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine