Compound Detail
CHEMBL3765487
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Basic Information
| ChEMBL ID | CHEMBL3765487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMWSOXMJHZSENA-FNORWQNLSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
367.6
MW (Da)
5.38
ALogP
4
HBA
0
HBD
38.9
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.33
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 2 CHEMBL613966 | EC50 | 5.33 | 5.33 | 4700.0 | 1 |
| dengue virus type 1 CHEMBL613360 | EC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 2 | EC50 | = | 4700.0 | nM | 5.33 | Antiviral activity against clinical isolates of Dengue virus 2 Trinidad 1751 TC ... | 26774922 |
| dengue virus type 1 | EC50 | = | 5900.0 | nM | 5.23 | Antiviral activity against clinical isolates of Dengue virus 1 Indonesia JKT 118... | 26774922 |
| Unchecked | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of Dengue virus 2 RdRp using homopolymeric uridine RNA as template as... | 26774922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26774922 | 10.1016/j.ejmech.2015.12.046 | Unchecked | 3 |
| 26774922 | 10.1016/j.ejmech.2015.12.046 | dengue virus type 2 | 2 |
| 26774922 | 10.1016/j.ejmech.2015.12.046 | dengue virus type 4 | 2 |
| 26774922 | 10.1016/j.ejmech.2015.12.046 | dengue virus type 1 | 1 |
| 26774922 | 10.1016/j.ejmech.2015.12.046 | ADMET | 1 |
| 26774922 | 10.1016/j.ejmech.2015.12.046 | dengue virus type 3 | 1 |
Data from ChEMBL 36 via Core Engine