Compound Detail
CHEMBL3354639
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O[C@H]2O[C@H](COP(=O)(O)O)[C@@H](OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](O)[C@@H]2OC)O[C@H](CO)[C@H]1OP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL3354639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIZBIHDCWGVUGP-QJHQUMTCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1769.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 4 CHEMBL5255 | EC50 | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 4 | EC50 | = | 0.4 | nM | 9.4 | Agonist activity at human TLR4 expressed in HEK293 cells coexpressed with human ... | 25252784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25252784 | 10.1021/jm500946r | Unchecked | 6 |
| 25252784 | 10.1021/jm500946r | Toll-like receptor 4 | 3 |
| 25252784 | 10.1021/jm500946r | THP-1 | 3 |
| 25252784 | 10.1021/jm500946r | Molecular identity unknown | 3 |
| 25252784 | 10.1021/jm500946r | ADMET | 1 |
Data from ChEMBL 36 via Core Engine