Compound Detail
CHEMBL4289005
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O=C(OC1=CS(=O)(=O)Nc2ccc(Oc3cccc(Br)c3)cc21)c1cccc([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL4289005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNSGNHYNKCXVQJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
517.3
MW (Da)
5.06
ALogP
7
HBA
1
HBD
124.8
PSA (Ų)
0.28
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nonstructural protein 5 CHEMBL4295629 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nonstructural protein 5 | IC50 | = | 8400.0 | nM | 5.08 | Inhibition of DENV3 NS5 RdRp using ss-RNA PolyC as template and GTP as substrate... | 29137867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29137867 | 10.1016/j.ejmech.2017.10.064 | Nonstructural protein 5 | 1 |
Data from ChEMBL 36 via Core Engine