Compound Detail
CHEMBL3740621
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Basic Information
| ChEMBL ID | CHEMBL3740621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEHIUWVXPQQDMC-VGMNWLOBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
226.3
MW (Da)
-0.51
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dengue virus CHEMBL613757 | EC50 | 4.95 | 4.95 | 11200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dengue virus | EC50 | = | 11200.0 | nM | 4.95 | Antiviral activity against dengue virus | 31128447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26546220 | 10.1016/j.bmcl.2015.10.075 | RAW264.7 | 7 |
| 26546220 | 10.1016/j.bmcl.2015.10.075 | Rattus norvegicus | 1 |
| 31128447 | 10.1016/j.ejmech.2019.05.010 | Dengue virus | 1 |
| 37506055 | 10.1021/acs.jnatprod.3c00193 | Cryptococcus neoformans | 1 |
| 37506055 | 10.1021/acs.jnatprod.3c00193 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine