Compound Detail
CHEMBL5438964
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Basic Information
| ChEMBL ID | CHEMBL5438964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGARESLTRMRIID-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
486.9
MW (Da)
5.52
ALogP
5
HBA
3
HBD
83.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 2 CHEMBL613966 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 2 | EC50 | = | 6.0 | nM | 8.22 | Antiviral activity against DENV-2 16681 expressing eGFP infected in african gree... | 37389813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37389813 | 10.1021/acs.jmedchem.3c00403 | No relevant target | 4 |
| 37389813 | 10.1021/acs.jmedchem.3c00403 | dengue virus type 2 | 1 |
| 37389813 | 10.1021/acs.jmedchem.3c00403 | Vero | 1 |
Data from ChEMBL 36 via Core Engine