Compound Detail
CHEMBL5811385
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COc1cc(N[C+](C(=O)N2CCc3c(C)cc(C(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCCC(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL5811385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDQMBBYRYROPSE-UHFFFAOYSA-O |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
576.0
MW (Da)
6.50
ALogP
5
HBA
2
HBD
88.1
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL5980 | EC50 | 10.11 | 10.11 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | EC50 | = | 0.078 | nM | 10.11 | DENV-2 Antiviral Assay: The antiviral activity of all the compounds of the inven... | - |
Data from ChEMBL 36 via Core Engine