Compound Detail
CHEMBL5570290
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CCCOC(=O)[C@H](C)N[P@](=O)(OC[C@@]1(C#N)O[C@@H](c2ccc3c(N)ncnn23)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)Oc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5570290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOAKUDQZYNUZBO-VFKJSMITSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
700.7
MW (Da)
3.92
ALogP
15
HBA
2
HBD
215.7
PSA (Ų)
0.13
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 7.44 | 7.39 | 36.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 36.0 | nM | 7.44 | Antiviral activity against RSV A2 infected in human HEp-2 cells incubated for 4 ... | 39018526 |
| Respiratory syncytial virus | EC50 | = | 46.0 | nM | 7.34 | Antiviral activity against RSV A2 infected in Normal human bronchial epithelial ... | 39018526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39018526 | 10.1021/acs.jmedchem.4c00899 | Respiratory syncytial virus | 2 |
| 39018526 | 10.1021/acs.jmedchem.4c00899 | HEp-2 | 1 |
| 39018526 | 10.1021/acs.jmedchem.4c00899 | MT4 | 1 |
| 39018526 | 10.1021/acs.jmedchem.4c00899 | No relevant target | 1 |
| 39018526 | 10.1021/acs.jmedchem.4c00899 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine