Compound Detail
CHEMBL3416680
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Basic Information
| ChEMBL ID | CHEMBL3416680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJPPAALZCQFXJV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
1.92
ALogP
5
HBA
2
HBD
71.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Brugia malayi CHEMBL613140 | IC50 | 6.37 | 6.265 | 430.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Brugia malayi | IC50 | = | 430.0 | nM | 6.37 | Antifilarial activity against Brugia malayi microfilaria assessed as reduction i... | 25768703 |
| Brugia malayi | IC50 | = | 690.0 | nM | 6.16 | 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 | 14 |
| 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