Compound Detail
CHEMBL5180295
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Basic Information
| ChEMBL ID | CHEMBL5180295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLDRYRBUWQDJOS-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
2.49
ALogP
8
HBA
2
HBD
127.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.13
IC50 1 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS5 CHEMBL4523952 | IC50 | 5.95 | 5.95 | 1130.0 | 1 |
| Zika virus CHEMBL4296612 | EC50 | 5.13 | 5.13 | 7430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS5 | IC50 | = | 1130.0 | nM | 5.95 | Inhibition of Zika virus wild type RNA-dependent RNA polymerase using ATP as sub... | 34274831 |
| Zika virus | EC50 | = | 7430.0 | nM | 5.13 | Antiviral activity against Zika virus SMGC-1 infected in human Huh-7 cells asses... | 34274831 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34274831 | 10.1016/j.ejmech.2021.113698 | NS5 | 1 |
| 34274831 | 10.1016/j.ejmech.2021.113698 | Zika virus | 1 |
| 34274831 | 10.1016/j.ejmech.2021.113698 | Nonstructural protein 5 | 1 |
Data from ChEMBL 36 via Core Engine