Compound Detail
CHEMBL4589719
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Basic Information
| ChEMBL ID | CHEMBL4589719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFZYFVCBKPDGIV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
541.1
MW (Da)
5.71
ALogP
6
HBA
2
HBD
64.7
PSA (Ų)
0.32
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zika virus CHEMBL4296612 | EC50 | 7.03 | 7.03 | 94.0 | 1 |
| NS5 CHEMBL4523952 | EC50 | 7.03 | 7.03 | 94.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS5 | EC50 | = | 94.0 | nM | 7.03 | Inhibition of RNA-dependent RNA polymerase in Zika virus PRVABC59 infected in Af... | 31549836 |
| Zika virus | EC50 | = | 94.0 | nM | 7.03 | Antiviral activity against Zika virus RNA-dependent RNA polymerase infected in A... | 34274831 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31549836 | 10.1021/acs.jmedchem.9b00775 | NS5 | 1 |
| 31549836 | 10.1021/acs.jmedchem.9b00775 | Vero | 1 |
| 34274831 | 10.1016/j.ejmech.2021.113698 | Zika virus | 1 |
| 34274831 | 10.1016/j.ejmech.2021.113698 | Vero | 1 |
| 34274831 | 10.1016/j.ejmech.2021.113698 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine