Compound Detail
CHEMBL2179779
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CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(C)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC)OC(=O)CCCCCCCCCCCCCCC
Basic Information
| ChEMBL ID | CHEMBL2179779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXGMUKWFMDIDOK-DIRYHJNDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
2495.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 2 CHEMBL4163 | EC50 | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 2 | EC50 | = | 56.0 | nM | 7.25 | Agonist activity at human TLR2 expressed in HEK293 cells assessed as induction o... | 23098072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23098072 | 10.1021/jm301002f | Toll-like receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine