Compound Detail
CHEMBL1797841
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Basic Information
| ChEMBL ID | CHEMBL1797841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANTWNQLAXOKONY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.0
MW (Da)
5.15
ALogP
4
HBA
0
HBD
39.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Yellow fever virus CHEMBL613731 | EC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Yellow fever virus | EC50 | = | 3300.0 | nM | 5.48 | Antiviral activity against luciferase reporting full length Yellow fever virus i... | 21612931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21612931 | 10.1016/j.bmc.2011.04.041 | Yellow fever virus | 2 |
| 21612931 | 10.1016/j.bmc.2011.04.041 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine