Compound Detail
CHEMBL336468
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Basic Information
| ChEMBL ID | CHEMBL336468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUAJRCZLGRKKRJ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
203.2
MW (Da)
0.86
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
EC50 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 2 CHEMBL613966 | EC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 2 | EC50 | = | 3300.0 | nM | 5.48 | Antiviral activity against Dengue virus 2 infected in BHK-D2RepT replicon system... | 22448770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2404122 | 10.1021/jm00163a067 | Dihydrofolate reductase | 3 |
| 2404122 | 10.1021/jm00163a067 | No relevant target | 1 |
| 2404122 | 10.1021/jm00163a067 | Staphylococcus aureus | 1 |
| 2404122 | 10.1021/jm00163a067 | Escherichia coli | 1 |
| 22448770 | 10.1021/jm2015952 | dengue virus type 2 | 1 |
| 22448770 | 10.1021/jm2015952 | ADMET | 1 |
| 22448770 | 10.1021/jm2015952 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine