Compound Detail
CHEMBL3942013
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Basic Information
| ChEMBL ID | CHEMBL3942013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMYNLVAUUVNFOJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
3.32
ALogP
8
HBA
2
HBD
117.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 6.65 | 6.65 | 223.0 | 1 |
| Toll-like receptor 8 CHEMBL5805 | EC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 223.0 | nM | 6.65 | Reporter Assay: For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 ... | - |
| Toll-like receptor 8 | EC50 | = | 35000.0 | nM | 4.46 | Reporter Assay: For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 ... | - |
Data from ChEMBL 36 via Core Engine