Compound Detail
CHEMBL466980
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Basic Information
| ChEMBL ID | CHEMBL466980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDGIFQNPGMXJCY-RIYZIHGNSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
238.2
MW (Da)
3.01
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL6135 | IC50 | 4.14 | 4.11 | 72000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 72000.0 | nM | 4.14 | Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA s... | 18640042 |
| Neuraminidase | IC50 | = | 73300.0 | nM | 4.13 | Inhibition of Influenza A Jinan/15/90 H3N2 virus neuraminidase activity by MUN-A... | 18640042 |
| Neuraminidase | IC50 | = | 86600.0 | nM | 4.06 | 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 |
| 20116898 | 10.1016/j.ejmech.2010.01.005 | Neuraminidase | 2 |
Data from ChEMBL 36 via Core Engine