Compound Detail
CHEMBL4227186
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Basic Information
| ChEMBL ID | CHEMBL4227186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTGMGRFVBFDHGQ-RQZCQDPDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
3.16
ALogP
4
HBA
2
HBD
79.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 1/2 CHEMBL3885643 | IC50 | 4.71 | 4.71 | 19700.0 | 1 |
| TLR2/TLR6 CHEMBL3301399 | IC50 | 4.42 | 4.42 | 37600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 1/2 | IC50 | = | 19700.0 | nM | 4.71 | Antagonist activity at TLR1/TLR2 in HEK-Blue hTLR2 cells | 37163340 |
| TLR2/TLR6 | IC50 | = | 37600.0 | nM | 4.42 | Antagonist activity at TLR2/TLR6 in human THP-1 cells | 37163340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29534935 | 10.1016/j.bmc.2018.03.001 | Toll-like receptor 2 | 2 |
| 29534935 | 10.1016/j.bmc.2018.03.001 | Toll-like receptor 1/2 | 1 |
| 29534935 | 10.1016/j.bmc.2018.03.001 | TLR2/TLR6 | 1 |
| 37163340 | 10.1021/acs.jmedchem.2c01655 | Toll-like receptor 1/2 | 1 |
| 37163340 | 10.1021/acs.jmedchem.2c01655 | TLR2/TLR6 | 1 |
Data from ChEMBL 36 via Core Engine