Compound Detail
CHEMBL4470866
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Basic Information
| ChEMBL ID | CHEMBL4470866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCMDJUFYPZWDDQ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
378.3
MW (Da)
5.05
ALogP
2
HBA
2
HBD
54.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.87
IC50 1 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zika virus CHEMBL4296612 | EC50 | 5.87 | 5.87 | 1350.0 | 1 |
| Nonstructural protein 3 CHEMBL4523954 | IC50 | 4.86 | 4.86 | 13860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zika virus | EC50 | = | 1350.0 | nM | 5.87 | Antiviral activity against Zika virus H/PF/2013 infected in human HuH7 cells ass... | 31344613 |
| Nonstructural protein 3 | IC50 | = | 13860.0 | nM | 4.86 | Inhibition of N-terminal unlinked Zika virus NS2B (45 to 96 residues) - NS3 (1 t... | 31344613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31344613 | 10.1016/j.ejmech.2019.07.007 | Unchecked | 1 |
| 31344613 | 10.1016/j.ejmech.2019.07.007 | Huh-7 | 1 |
| 31344613 | 10.1016/j.ejmech.2019.07.007 | Zika virus | 1 |
| 31344613 | 10.1016/j.ejmech.2019.07.007 | Nonstructural protein 3 | 1 |
Data from ChEMBL 36 via Core Engine