Compound Detail
CHEMBL5590402
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Basic Information
| ChEMBL ID | CHEMBL5590402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIZGDOZOIZVWHU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
4
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
4.05
ALogP
8
HBA
1
HBD
84.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ebolavirus CHEMBL4434621 | EC50 | 7.5 | 7.5 | 32.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 0.636 | uM.hr | Mus musculus |
| AUC | 2.532 | uM.hr | Mus musculus |
| Cmax | 151.0 | nM | Mus musculus |
| MRT | 113.0 | hr | Mus musculus |
| T1/2 | 86.2 | hr | Mus musculus |
| Tmax | 2.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ebolavirus | EC50 | = | 32.0 | nM | 7.5 | 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 | ADMET | 9 |
| 38875806 | 10.1016/j.ejmech.2024.116537 | Ebolavirus | 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