Compound Detail
CHEMBL5784469
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COc1cc(NC(C(=O)N2CCc3c(C)cc(C(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCCC(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL5784469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKSAKVVKAHSZME-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
577.0
MW (Da)
6.66
ALogP
5
HBA
2
HBD
88.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL5980 | EC50 | 9.42 | 8.62 | 0.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | EC50 | = | 0.38 | nM | 9.42 | DENV-2 Antiviral Assay: The antiviral activity of all the compounds of the inven... | - |
| Genome polyprotein | EC50 | = | 15.0 | nM | 7.82 | DENV-2 Antiviral Assay: The antiviral activity of all the compounds of the inven... | - |
Data from ChEMBL 36 via Core Engine