Compound Detail
CHEMBL4456898
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Basic Information
| ChEMBL ID | CHEMBL4456898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRBLDIIVXBCDGF-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
404.6
MW (Da)
4.61
ALogP
4
HBA
0
HBD
59.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.62
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.62 | 5.62 | 2400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 2 | EC50 | = | 2400.0 | nM | 5.62 | Antiviral activity against DENV2 | 31128447 |
| dengue virus type 2 | EC50 | = | 2400.0 | nM | 5.62 | Antiviral activity against DENV2 | 34601454 |
| Unchecked | EC50 | = | 2400.0 | nM | 5.62 | Antiviral activity against DENV2 infected in human HepG2 cells measured after 48... | 34601454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31128447 | 10.1016/j.ejmech.2019.05.010 | dengue virus type 2 | 1 |
| 31128447 | 10.1016/j.ejmech.2019.05.010 | Genome polyprotein | 1 |
| 34601454 | 10.1016/j.bmc.2021.116415 | Genome polyprotein | 1 |
| 34601454 | 10.1016/j.bmc.2021.116415 | dengue virus type 2 | 1 |
| 34601454 | 10.1016/j.bmc.2021.116415 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine