Compound Detail
CHEMBL466981
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 | CHEMBL466981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACGXIFQKQYZLOU-WLRTZDKTSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
270.2
MW (Da)
2.42
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL6135 | IC50 | 4.65 | 4.61 | 22300.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 22300.0 | nM | 4.65 | Inhibition of Influenza A Jinan/15/90 H3N2 virus neuraminidase activity by MUN-A... | 18640042 |
| Neuraminidase | IC50 | = | 25600.0 | nM | 4.59 | Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA s... | 18640042 |
| Neuraminidase | IC50 | = | 25400.0 | nM | 4.59 | Inhibition of Influenza A Jiangsu/10/2003 virus neuraminidase activity by MUN-AN... | 18640042 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18640042 | 10.1016/j.bmc.2008.06.049 | Neuraminidase | 3 |
| 18640042 | 10.1016/j.bmc.2008.06.049 | MDCK | 2 |
| 18640042 | 10.1016/j.bmc.2008.06.049 | Influenza A virus | 1 |
| 18640042 | 10.1016/j.bmc.2008.06.049 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine