Compound Detail
CHEMBL476135
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Basic Information
| ChEMBL ID | CHEMBL476135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGYRTAKPHAXCFJ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
332.9
MW (Da)
5.34
ALogP
4
HBA
1
HBD
38.9
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.51
IC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Yellow fever virus CHEMBL613731 | EC50 | 4.51 | 4.51 | 31000.0 | 2 |
| Yellow fever virus CHEMBL613731 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Yellow fever virus | EC50 | = | 31000.0 | nM | 4.51 | Antiviral activity against IRES-luciferase tagged Yellow fever virus in BHK15 ce... | 18610998 |
| Yellow fever virus | EC50 | = | 31000.0 | nM | 4.51 | Antiviral activity against luciferase reporting full length Yellow fever virus i... | 21612931 |
| Yellow fever virus | IC50 | = | 31000.0 | nM | 4.51 | Antiviral activity against Yellow fever virus | 25791449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18610998 | 10.1021/jm800412d | ADMET | 2 |
| 21612931 | 10.1016/j.bmc.2011.04.041 | ADMET | 2 |
| 18610998 | 10.1021/jm800412d | Yellow fever virus | 1 |
| 21612931 | 10.1016/j.bmc.2011.04.041 | Yellow fever virus | 1 |
| 25791449 | 10.1016/j.bmcl.2015.02.059 | Yellow fever virus | 1 |
Data from ChEMBL 36 via Core Engine