Compound Detail
CHEMBL3764653
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Basic Information
| ChEMBL ID | CHEMBL3764653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJOCTMLFSULLPJ-SOFGYWHQSA-N |
5
Targets
7
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 6 meas. best 5.16
IC50 1 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 3 CHEMBL612717 | EC50 | 5.16 | 5.16 | 7000.0 | 1 |
| dengue virus type 4 CHEMBL613728 | EC50 | 5.16 | 5.005 | 7000.0 | 2 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.0 | 4.95 | 10000.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
| dengue virus type 1 CHEMBL613360 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 3 | EC50 | = | 7000.0 | nM | 5.16 | Antiviral activity against clinical isolates of Dengue virus 3 Bolivia 4025 infe... | 26774922 |
| dengue virus type 4 | EC50 | = | 7000.0 | nM | 5.16 | Antiviral activity against clinical isolates of Dengue virus 4 Martinique 017 in... | 26774922 |
| dengue virus type 2 | EC50 | = | 10000.0 | nM | 5.0 | Antiviral activity against clinical isolates of Dengue virus 2 Trinidad 1751 TC ... | 26774922 |
| Unchecked | IC50 | = | 10400.0 | nM | 4.98 | Inhibition of Dengue virus 2 RdRp using homopolymeric uridine RNA as template as... | 26774922 |
| dengue virus type 1 | EC50 | = | 11000.0 | nM | 4.96 | Antiviral activity against clinical isolates of Dengue virus 1 Indonesia JKT 118... | 26774922 |
| dengue virus type 2 | EC50 | = | 12700.0 | nM | 4.9 | Antiviral activity against clinical isolates of Dengue virus 2 Martinique H/IMTS... | 26774922 |
| dengue virus type 4 | EC50 | = | 14000.0 | nM | 4.85 | Antiviral activity against clinical isolates of Dengue virus 4 Dakar HD34460 inf... | 26774922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 | ADMET | 1 |
| 26774922 | 10.1016/j.ejmech.2015.12.046 | Unchecked | 1 |
| 26774922 | 10.1016/j.ejmech.2015.12.046 | dengue virus type 1 | 1 |
| 26774922 | 10.1016/j.ejmech.2015.12.046 | dengue virus type 3 | 1 |
Data from ChEMBL 36 via Core Engine