Compound Detail
CHEMBL4871225
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COc1cccc(Cn2c3ccc(-c4cccc(-c5noc(=O)[nH]5)c4)cc3c3cc(-c4cccc(-c5noc(=O)[nH]5)c4)ccc32)c1
Basic Information
| ChEMBL ID | CHEMBL4871225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOVORLUUNYOYHW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
607.6
MW (Da)
6.87
ALogP
8
HBA
2
HBD
131.9
PSA (Ų)
0.20
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.84
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 2 CHEMBL613966 | EC50 | 4.84 | 4.84 | 14500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 2 | EC50 | = | 14500.0 | nM | 4.84 | Antiviral activity against Dengue virus 2 measured at 48 hrs post-infection | 34298282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34298282 | 10.1016/j.ejmech.2021.113695 | Genome polyprotein | 1 |
| 34298282 | 10.1016/j.ejmech.2021.113695 | dengue virus type 2 | 1 |
| 34298282 | 10.1016/j.ejmech.2021.113695 | Zika virus | 1 |
Data from ChEMBL 36 via Core Engine