Compound Detail
CHEMBL5277335
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CCCCC/C=C/C1=C(CO)[C@@H]2OC(C)(C)[C@@H](O)C[C@]2(O)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL5277335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIJNGBSLCYIZDT-VIGMTATBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
0.81
ALogP
6
HBA
5
HBD
110.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | IC50 | 4.14 | 4.14 | 72010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | IC50 | = | 72010.0 | nM | 4.14 | Antiviral activity against RSV infected in human HEp-2 cells assessed as inhibit... | 32937282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32937282 | 10.1016/j.ejmech.2020.112790 | Respiratory syncytial virus | 1 |
Data from ChEMBL 36 via Core Engine