Compound Detail
CHEMBL344548
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Basic Information
| ChEMBL ID | CHEMBL344548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMBMCUACUOKRPD-JMJZKYOTSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
-2.41
ALogP
6
HBA
5
HBD
163.5
PSA (Ų)
0.20
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Ki 1 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL2051 | Ki | 9.89 | 9.89 | 0.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | Ki | = | 0.13 | nM | 9.89 | Neuraminidase binding affinity in Influenza A | 10602699 |
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Inhibitory concentration against neuraminidase. | 10602699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10602699 | 10.1021/jm990105g | Unchecked | 1 |
| 10602699 | 10.1021/jm990105g | Neuraminidase | 1 |
Data from ChEMBL 36 via Core Engine