Compound Detail
CHEMBL5598489
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
COC(=O)N1CCN(CCCOc2c3c(c(-c4ccc5c(c4)OCO5)c4cc(OC)c(OC)cc24)C(=O)OC3)CC1
Basic Information
| ChEMBL ID | CHEMBL5598489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDRYEDPGBLXAGF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
564.6
MW (Da)
4.08
ALogP
10
HBA
0
HBD
105.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ebolavirus CHEMBL4434621 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ebolavirus | EC50 | = | 22.0 | nM | 7.66 | Antiviral activity against recombinant Ebola virus Mayinga expressing GFP infect... | 38875806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38875806 | 10.1016/j.ejmech.2024.116537 | Ebolavirus | 1 |
| 38875806 | 10.1016/j.ejmech.2024.116537 | ADMET | 1 |
| 38875806 | 10.1016/j.ejmech.2024.116537 | HEK293 | 1 |
| 38875806 | 10.1016/j.ejmech.2024.116537 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine