Compound Detail
CHEMBL1711961
XANTHOANGELOL D Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1711961 |
| Name | XANTHOANGELOL D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSOKENZJQWPLRA-UXBLZVDNSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.48
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.91
Ki 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL1795169 | IC50 | 4.91 | 4.91 | 12300.0 | 1 |
| Neuraminidase CHEMBL1795169 | Ki | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 12300.0 | nM | 4.91 | Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neur... | 21824777 |
| Neuraminidase | Ki | = | 14000.0 | nM | 4.85 | Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) r... | 21824777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21824777 | 10.1016/j.bmcl.2011.06.130 | Neuraminidase | 2 |
| 25891102 | 10.1016/j.bmcl.2015.04.003 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
Data from ChEMBL 36 via Core Engine