Compound Detail
CHEMBL5639894
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Basic Information
| ChEMBL ID | CHEMBL5639894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIJIXMHVTIPCIB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
512.5
MW (Da)
7.48
ALogP
6
HBA
2
HBD
59.1
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human coronavirus OC43 CHEMBL5209665 | EC50 | 5.53 | 5.53 | 2970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human coronavirus OC43 | EC50 | = | 2970.0 | nM | 5.53 | 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