Compound Detail
CHEMBL3344315
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O=c1c(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12
Basic Information
| ChEMBL ID | CHEMBL3344315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPVIQWDFJPYNJM-KBGHMCAJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
626.5
MW (Da)
-3.07
ALogP
17
HBA
11
HBD
289.7
PSA (Ų)
0.12
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dengue virus CHEMBL613757 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dengue virus | IC50 | = | 1700.0 | nM | 5.77 | Antiviral activity against Dengue virus assessed as inhibition of viral replicat... | 25305334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25305334 | 10.1016/j.ejmech.2014.10.010 | Dengue virus | 1 |
Data from ChEMBL 36 via Core Engine