Compound Detail
CHEMBL4863905
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Basic Information
| ChEMBL ID | CHEMBL4863905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KECDRMOQNBKGFQ-GVDBMIGSSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
1.45
ALogP
5
HBA
5
HBD
128.8
PSA (Ų)
0.26
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL6135 | IC50 | 7.42 | 7.42 | 38.3 | 1 |
| Neuraminidase CHEMBL1667685 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
| Neuraminidase CHEMBL3559643 | IC50 | 6.83 | 6.83 | 147.0 | 1 |
| Neuraminidase CHEMBL2051 | IC50 | 6.48 | 6.48 | 332.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 38.3 | nM | 7.42 | Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1) Neuraminidase using MUNANA... | 34082224 |
| Neuraminidase | IC50 | = | 57.0 | nM | 7.24 | Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1) Neuraminidase H274Y mutant... | 34082224 |
| Neuraminidase | IC50 | = | 147.0 | nM | 6.83 | Inhibition of Influenza A virus (A/California/04/2009 (H1N1)) Neuraminidase H274... | 34082224 |
| Neuraminidase | IC50 | = | 332.0 | nM | 6.48 | Inhibition of Influenza A virus (A/California/04/2009(H1N1)) Neuraminidase using... | 34082224 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34082224 | 10.1016/j.ejmech.2021.113567 | Neuraminidase | 7 |
Data from ChEMBL 36 via Core Engine