Compound Detail
CHEMBL3125436
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Basic Information
| ChEMBL ID | CHEMBL3125436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAZSRFGQIWPLLH-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
232.3
MW (Da)
2.17
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.19 | 5.865 | 640.0 | 2 |
| Neuraminidase CHEMBL6135 | IC50 | 5.19 | 4.855 | 6470.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 640.0 | nM | 6.19 | Inhibition of Clostridium perfringens neuraminidase by chemiluminescence based a... | 24313801 |
| Unchecked | IC50 | = | 2880.0 | nM | 5.54 | Inhibition of Clostridium perfringens neuraminidase by fluorescence based assay | 24313801 |
| Neuraminidase | IC50 | = | 6470.0 | nM | 5.19 | Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by ch... | 24313801 |
| Neuraminidase | IC50 | = | 12400.0 | nM | 4.91 | Inhibition of Influenza A virus (A/Hong Kong/1/1968(H3N2)) neuraminidase by chem... | 24313801 |
| Neuraminidase | IC50 | = | 15500.0 | nM | 4.81 | Inhibition of Influenza A virus J/8178/09 neuraminidase by chemiluminescence bas... | 24313801 |
| Neuraminidase | IC50 | = | 30600.0 | nM | 4.51 | Inhibition of oseltamivir-resistant Influenza A virus H1N1 B/55/08 neuraminidase... | 24313801 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24313801 | 10.1021/np400817j | Neuraminidase | 5 |
| 24313801 | 10.1021/np400817j | Unchecked | 2 |
| 24313801 | 10.1021/np400817j | No relevant target | 2 |
| 24313801 | 10.1021/np400817j | Influenza A virus | 2 |
| 24313801 | 10.1021/np400817j | MDCK | 1 |
Data from ChEMBL 36 via Core Engine