Compound Detail
CHEMBL3485054
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Basic Information
| ChEMBL ID | CHEMBL3485054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRBRXDVSIXYEAU-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
4.39
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
EC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Wolbachia pipientis CHEMBL4649981 | IC50 | 5.54 | 5.345 | 2889.9 | 2 |
| Toll-like receptor 7 CHEMBL5936 | EC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Wolbachia pipientis | IC50 | = | 2889.91 | nM | 5.54 | Anti-Wolbachia Cell-Based Screen | - |
| Wolbachia pipientis | IC50 | = | 7142.73 | nM | 5.15 | Anti-Wolbachia Cell-Based Screen | - |
| Toll-like receptor 7 | EC50 | = | 8300.0 | nM | 5.08 | Agonist activity at human TLR7 in HEK293 cells cotransfected with SEAP reporter ... | 31247373 |
Literature References
Data from ChEMBL 36 via Core Engine