Compound Detail
CHEMBL3343659
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Basic Information
| ChEMBL ID | CHEMBL3343659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDEMWTMCJLNBDH-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
2.81
ALogP
4
HBA
0
HBD
40.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.19 | 4.19 | 65200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 65200.0 | nM | 4.19 | Inhibition of Clostridium perfringens neuraminidase 4-methylumbelliferyl-alpha-D... | 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