Compound Detail
CHEMBL195276
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Basic Information
| ChEMBL ID | CHEMBL195276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNBOKXFMODKQCT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
1.94
ALogP
5
HBA
2
HBD
77.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 4.02 | 4.02 | 95000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 95000.0 | nM | 4.02 | Agonist activity at human TLR7 transfected in HEK cells assessed as NFkappaB ind... | 22837811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22837811 | 10.1021/ml300079e | Unchecked | 4 |
| 15887957 | 10.1021/jm049211v | ADMET | 1 |
| 22837811 | 10.1021/ml300079e | Toll-like receptor 8 | 1 |
| 22837811 | 10.1021/ml300079e | Toll-like receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine