Compound Detail
CHEMBL4207565
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
Basic Information
| ChEMBL ID | CHEMBL4207565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSPHOMCRDGLVMJ-XHIHJMKYSA-N |
2
Targets
2
Activities
1
Assay Types
6
PK Parameters
8
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
5.39
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.62
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ebolavirus CHEMBL4434621 | EC50 | 5.32 | 5.32 | 4800.0 | 1 |
| Marburgvirus CHEMBL4296577 | EC50 | 5.15 | 5.15 | 7100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1072.41 | ng.hr.mL-1 | Mus musculus |
| AUC | 1913.9 | ng.hr.mL-1 | Mus musculus |
| Cmax | 290.0 | nM | Mus musculus |
| MRT | 4.89 | hr | Mus musculus |
| T1/2 | 4.14 | hr | Mus musculus |
| Tmax | 0.67 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ebolavirus | EC50 | = | 4800.0 | nM | 5.32 | Antiviral activity against HIV1 pseudotyped EBOV infected in HEK293T cells asses... | 29494844 |
| Marburgvirus | EC50 | = | 7100.0 | nM | 5.15 | Antiviral activity against HIV1 pseudotyped MARV infected in HEK293T cells asses... | 29494844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29494844 | 10.1016/j.ejmech.2018.02.061 | Mus musculus | 9 |
| 29494844 | 10.1016/j.ejmech.2018.02.061 | Ebolavirus | 5 |
| 29494844 | 10.1016/j.ejmech.2018.02.061 | Marburgvirus | 2 |
| 29494844 | 10.1016/j.ejmech.2018.02.061 | HEK-293T | 2 |
| 29494844 | 10.1016/j.ejmech.2018.02.061 | Unchecked | 2 |
| 29494844 | 10.1016/j.ejmech.2018.02.061 | Vesicular stomatitis virus | 1 |
| 29494844 | 10.1016/j.ejmech.2018.02.061 | Cathepsin B | 1 |
| 29494844 | 10.1016/j.ejmech.2018.02.061 | Procathepsin L | 1 |
Data from ChEMBL 36 via Core Engine