Compound Detail
CHEMBL5960906
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COc1cc(NC(C(=O)N2CCc3ccc(OC(F)(F)F)cc32)c2ccc(F)cc2OC)cc(OCCCC(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL5960906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOFURULEBYCVOL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
592.5
MW (Da)
5.73
ALogP
7
HBA
2
HBD
106.6
PSA (Ų)
0.20
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL5980 | EC50 | 9.2 | 7.9 | 0.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | EC50 | = | 0.63 | nM | 9.2 | DENV-2 Antiviral Assay: The antiviral activity of all the compounds of the inven... | - |
| Genome polyprotein | EC50 | = | 250.0 | nM | 6.6 | DENV-2 Antiviral Assay: The antiviral activity of all the compounds of the inven... | - |
Data from ChEMBL 36 via Core Engine