Compound Detail
CHEMBL3416684
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Basic Information
| ChEMBL ID | CHEMBL3416684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVTIBCLSDHAJIW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
2.95
ALogP
5
HBA
2
HBD
71.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Brugia malayi CHEMBL613140 | IC50 | 6.75 | 6.305 | 180.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Brugia malayi | IC50 | = | 180.0 | nM | 6.75 | Antifilarial activity against Brugia malayi microfilaria assessed as reduction i... | 25768703 |
| Brugia malayi | IC50 | = | 1380.0 | nM | 5.86 | Antifilarial activity against Brugia malayi adult worm assessed as reduction in ... | 25768703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25768703 | 10.1016/j.ejmech.2015.02.043 | Brugia malayi | 17 |
| 25768703 | 10.1016/j.ejmech.2015.02.043 | Unchecked | 2 |
| 25768703 | 10.1016/j.ejmech.2015.02.043 | Vero | 1 |
Data from ChEMBL 36 via Core Engine