Compound Detail
CHEMBL1823414
XANTHOANGELOL G 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 | CHEMBL1823414 |
| Name | XANTHOANGELOL G |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYGYGFOLOACYGB-NKUGMWFWSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
5.21
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.62
Ki 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL1795169 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
| Neuraminidase CHEMBL1795169 | IC50 | 4.62 | 4.62 | 24200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | Ki | = | 20000.0 | nM | 4.7 | Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) r... | 21824777 |
| Neuraminidase | IC50 | = | 24200.0 | nM | 4.62 | Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neur... | 21824777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21824777 | 10.1016/j.bmcl.2011.06.130 | Neuraminidase | 2 |
Data from ChEMBL 36 via Core Engine