Compound Detail
CHEMBL214997
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CCC(O)c1cn([C@H]2C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(C)=O)nn1
Basic Information
| ChEMBL ID | CHEMBL214997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNTRNZUHJUZMDW-GAHRJJRKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
-2.15
ALogP
10
HBA
6
HBD
187.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| unidentified influenza virus CHEMBL613128 | EC50 | 5.19 | 5.19 | 6400.0 | 1 |
| MDCK CHEMBL614068 | EC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDCK | EC50 | = | 6400.0 | nM | 5.19 | Antiviral activity against avian influenza virus H5N1 in MDCK cells measured as ... | 16876409 |
| unidentified influenza virus | EC50 | = | 6400.0 | nM | 5.19 | Antiviral activity against avian influenza virus H5N1 | 20873795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16876409 | 10.1016/j.bmcl.2006.07.047 | MDCK | 2 |
| 20873795 | 10.1021/jm100822f | unidentified influenza virus | 1 |
Data from ChEMBL 36 via Core Engine