Compound Detail
CHEMBL5573589
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CCC(=O)Nc1cc(C(=O)Nc2ccc(CN3CC(N(C)C)C3)c(C(F)(F)F)c2)ccc1OCCCCl
Basic Information
| ChEMBL ID | CHEMBL5573589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDMPUSDHGHPTMS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
541.0
MW (Da)
5.06
ALogP
5
HBA
2
HBD
73.9
PSA (Ų)
0.31
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human coronavirus OC43 CHEMBL5209665 | EC50 | 4.65 | 4.65 | 22220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human coronavirus OC43 | EC50 | = | 22220.0 | nM | 4.65 | Antiviral activity against HCoV-OC43 VR-1558 infected in human NCI-H460 cells as... | 38061229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38061229 | 10.1016/j.ejmech.2023.115978 | Human coronavirus OC43 | 1 |
| 38061229 | 10.1016/j.ejmech.2023.115978 | NCI-H460 | 1 |
| 38061229 | 10.1016/j.ejmech.2023.115978 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine