Compound Detail
CHEMBL4226256
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CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)OC(=O)CCCNC(=O)CCCCCCCCCC
Basic Information
| ChEMBL ID | CHEMBL4226256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIDYYCDBQRNMKS-WVIMUZHZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1286.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 2 CHEMBL1075106 | IC50 | 5.86 | 5.86 | 1382.0 | 1 |
| Toll-like receptor 2 CHEMBL4163 | IC50 | 5.71 | 5.71 | 1962.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 2 | IC50 | = | 1382.0 | nM | 5.86 | Inhibition of biotin labelled Pam2CSK4 binding to mouse TLR2 Fc chimera protein ... | 29598910 |
| Toll-like receptor 2 | IC50 | = | 1962.0 | nM | 5.71 | Inhibition of biotin labelled Pam2CSK4 binding to His tagged human TLR2 after 45... | 29598910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29598910 | 10.1016/j.bmcl.2018.03.042 | THP-1 | 2 |
| 29598910 | 10.1016/j.bmcl.2018.03.042 | RAW264.7 | 2 |
| 29598910 | 10.1016/j.bmcl.2018.03.042 | Toll-like receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine