Compound Detail
CHEMBL419710
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Basic Information
| ChEMBL ID | CHEMBL419710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFONMZKOXSGBKR-NWANDNLSSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
0.61
ALogP
5
HBA
3
HBD
122.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL2051 | IC50 | 7.0 | 6.04 | 100.0 | 6 |
| Neuraminidase CHEMBL3377 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 100.0 | nM | 7.0 | Compound was tested for its inhibitory activity against A/Victoria/3/75 (N2) sia... | 9526555 |
| Neuraminidase | IC50 | = | 450.0 | nM | 6.35 | Inhibition of sialidase (Flu A, 5 nM) | 9526555 |
| Neuraminidase | IC50 | = | 450.0 | nM | 6.35 | Compound was tested for its inhibitory activity against A/Aichi/2/68 (N2) sialid... | 9526555 |
| Neuraminidase | IC50 | = | 450.0 | nM | 6.35 | Inhibition of influenza A sialidase (neuraminidase) | - |
| Neuraminidase | IC50 | = | 5900.0 | nM | 5.23 | Compound was tested for its inhibitory activity against A/USSR/90/77 (N1) sialid... | 9526555 |
| Neuraminidase | IC50 | = | 11000.0 | nM | 4.96 | Compound was tested for its inhibitory activity against A/PR/8/34 (N1) sialidase... | 9526555 |
| Neuraminidase | IC50 | = | 100000.0 | nM | 4.0 | Compound was tested for its inhibitory activity against B/Beijing/1/87 (N2) sial... | 9526555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9526555 | 10.1021/jm970374b | Neuraminidase | 9 |
| - | 10.1016/S0960-894X(96)00542-2 | Neuraminidase | 2 |
| 18255197 | 10.1016/j.ejmech.2007.04.011 | Neuraminidase | 1 |
Data from ChEMBL 36 via Core Engine