Compound Detail
CHEMBL3343658
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Basic Information
| ChEMBL ID | CHEMBL3343658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWCVASCMRTXXRY-UHFFFAOYSA-O |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
3.39
ALogP
4
HBA
1
HBD
51.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.38 | 4.38 | 41300.0 | 1 |
| Neuraminidase CHEMBL3559643 | IC50 | 4.09 | 4.09 | 80500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 41300.0 | nM | 4.38 | Inhibition of Clostridium perfringens neuraminidase 4-methylumbelliferyl-alpha-D... | 25277281 |
| Neuraminidase | IC50 | = | 80500.0 | nM | 4.09 | Inhibition of recombinant Influenza A virus H1N1 neuraminidase using 4-methylumb... | 25277281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25277281 | 10.1016/j.bmc.2014.09.004 | Neuraminidase | 2 |
| 25277281 | 10.1016/j.bmc.2014.09.004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine