Compound Detail
CHEMBL154191
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Basic Information
| ChEMBL ID | CHEMBL154191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZDYQBFYMBALBY-IENPIDJESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
209.3
MW (Da)
1.47
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL6135 | IC50 | 4.67 | 4.67 | 21300.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.34 | 4.34 | 45200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 21300.0 | nM | 4.67 | Inhibition of influenza A virus neuraminidase assessed as cleavage of MUNANA sub... | 21382719 |
| No relevant target | IC50 | = | 45200.0 | nM | 4.34 | Antioxidant activity assessed as DPPH free radical scavenging activity treated w... | 27017266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27017266 | 10.1016/j.ejmech.2016.03.019 | No relevant target | 16 |
| 27017266 | 10.1016/j.ejmech.2016.03.019 | ADMET | 12 |
| 6716397 | 10.1021/jm00371a006 | Mus musculus | 5 |
| 19423200 | 10.1016/j.ejmech.2009.04.014 | Bacillus subtilis | 1 |
| 19423200 | 10.1016/j.ejmech.2009.04.014 | Staphylococcus aureus | 1 |
| 19423200 | 10.1016/j.ejmech.2009.04.014 | Escherichia coli | 1 |
| 19423200 | 10.1016/j.ejmech.2009.04.014 | Pseudomonas aeruginosa | 1 |
| 21382719 | 10.1016/j.bmc.2011.02.019 | Neuraminidase | 1 |
| 22921080 | 10.1016/j.bmcl.2012.08.012 | Beta-lactamase | 1 |
| 22921080 | 10.1016/j.bmcl.2012.08.012 | Beta-lactamase II | 1 |
| 30107365 | 10.1016/j.ejmech.2018.08.004 | Tartrate-resistant acid phosphatase type 5 | 1 |
Data from ChEMBL 36 via Core Engine