Compound Detail
CHEMBL4873884
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 | CHEMBL4873884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDCXEZBHTKSNCZ-ARFHVFGLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
1.06
ALogP
5
HBA
5
HBD
128.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL6135 | IC50 | 6.62 | 6.62 | 241.0 | 1 |
| Neuraminidase CHEMBL1667685 | IC50 | 6.59 | 6.59 | 259.0 | 1 |
| Neuraminidase CHEMBL3559643 | IC50 | 6.42 | 6.42 | 384.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 241.0 | nM | 6.62 | Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1) Neuraminidase using MUNANA... | 34082224 |
| Neuraminidase | IC50 | = | 259.0 | nM | 6.59 | Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1) Neuraminidase H274Y mutant... | 34082224 |
| Neuraminidase | IC50 | = | 384.0 | nM | 6.42 | Inhibition of Influenza A virus (A/California/04/2009 (H1N1)) Neuraminidase H274... | 34082224 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34082224 | 10.1016/j.ejmech.2021.113567 | Neuraminidase | 5 |
Data from ChEMBL 36 via Core Engine