Compound Detail
CHEMBL4212873
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Basic Information
| ChEMBL ID | CHEMBL4212873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQBOSESZFNYSMO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
5.22
ALogP
4
HBA
2
HBD
63.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 2 CHEMBL613966 | EC50 | 7.11 | 7.11 | 78.0 | 1 |
| dengue virus type 1 CHEMBL613360 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
| dengue virus type 4 CHEMBL613728 | EC50 | 5.35 | 5.35 | 4500.0 | 1 |
| dengue virus type 3 CHEMBL612717 | EC50 | 4.53 | 4.53 | 29400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 2 | EC50 | = | 78.0 | nM | 7.11 | Antiviral activity against Dengue virus 2 Rega infected in African green monkey ... | 30149709 |
| dengue virus type 1 | EC50 | = | 1600.0 | nM | 5.8 | Antiviral activity against Dengue virus 1 Djibouti D1/H/IMTSSA/98/606 infected i... | 30149709 |
| dengue virus type 4 | EC50 | = | 4500.0 | nM | 5.35 | Antiviral activity against Dengue virus 4 DAKHD34460 infected in African green m... | 30149709 |
| dengue virus type 3 | EC50 | = | 29400.0 | nM | 4.53 | Antiviral activity against Dengue virus 3 H87 infected in African green monkey V... | 30149709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30149709 | 10.1021/acs.jmedchem.8b00913 | dengue virus type 2 | 2 |
| 30149709 | 10.1021/acs.jmedchem.8b00913 | Salmonella typhimurium | 2 |
| 30149709 | 10.1021/acs.jmedchem.8b00913 | Vero | 1 |
| 30149709 | 10.1021/acs.jmedchem.8b00913 | dengue virus type 1 | 1 |
| 30149709 | 10.1021/acs.jmedchem.8b00913 | dengue virus type 3 | 1 |
| 30149709 | 10.1021/acs.jmedchem.8b00913 | dengue virus type 4 | 1 |
| 30149709 | 10.1021/acs.jmedchem.8b00913 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine