Compound Detail
CHEMBL134871
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Basic Information
| ChEMBL ID | CHEMBL134871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEEDZJJOWWIIFH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
2.23
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 1/2 CHEMBL3885644 | IC50 | 4.4 | 4.4 | 39910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 1/2 | IC50 | = | 39910.0 | nM | 4.4 | Antagonist activity at TLR1/2 in mouse RAW264.7 cells assessed as inhibition of ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 13678404 | 10.1021/jm030190z | Bcl-2-like protein 1 | 1 |
| 13678404 | 10.1021/jm030190z | HeLa | 1 |
Data from ChEMBL 36 via Core Engine