Compound Detail
CHEMBL507938
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
CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)C(=O)O)O[C@H](CO)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC
Basic Information
| ChEMBL ID | CHEMBL507938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICLAYQQKWJGHBV-XJZMHMBSSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
1446.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 4 CHEMBL5255 | EC50 | 11.0 | 10.2067 | 0.0 | 6 |
| Toll-like receptor 4 CHEMBL1795167 | EC50 | 10.82 | 10.82 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 4 | EC50 | = | 0.01 | nM | 11.0 | Agonist activity at TLR4 in human PBMC cells assessed as induction of MIP-1beta ... | 37847244 |
| Toll-like receptor 4 | EC50 | = | 0.014 | nM | 10.85 | Agonist activity at TLR4 in human PBMC cells assessed as induction of RANTES rel... | 37847244 |
| Toll-like receptor 4 | EC50 | = | 0.015 | nM | 10.82 | Agonist activity at TLR4 in mouse RAW264.7 cells assessed as induction of MIP-1b... | 37847244 |
| Toll-like receptor 4 | EC50 | = | 0.028 | nM | 10.55 | Agonist activity at TLR4 in human PBMC cells assessed as induction of IL-1beta r... | 37847244 |
| Toll-like receptor 4 | EC50 | = | 0.06 | nM | 10.22 | Agonist activity at TLR4 in human MONO-MAC-6 cells assessed as induction of MIP-... | 37847244 |
| Toll-like receptor 4 | EC50 | = | 0.26 | nM | 9.59 | Agonist activity at TLR4 in human PBMC cells assessed as induction of TNFalpha r... | 37847244 |
| Toll-like receptor 4 | EC50 | = | 0.93 | nM | 9.03 | Agonist activity at human TLR4 in human HEK-Blue hTLR4 cells assessed as NF-kapp... | 37847244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37847244 | 10.1021/acs.jmedchem.3c00724 | Toll-like receptor 4 | 8 |
| 37847244 | 10.1021/acs.jmedchem.3c00724 | Mus musculus | 7 |
| 37847244 | 10.1021/acs.jmedchem.3c00724 | ADMET | 5 |
| 18835160 | 10.1016/j.bmcl.2008.09.060 | Influenza A virus | 4 |
| 18835160 | 10.1016/j.bmcl.2008.09.060 | Toll-like receptor 4 | 2 |
| 18835160 | 10.1016/j.bmcl.2008.09.060 | Listeria monocytogenes | 1 |
| 25553892 | 10.1016/j.bmcl.2014.12.024 | Toll-like receptor 4/MD-2 | 1 |
| 37847244 | 10.1021/acs.jmedchem.3c00724 | No relevant target | 1 |
| 37847244 | 10.1021/acs.jmedchem.3c00724 | Nuclear factor NF-kappa-B complex | 1 |
Data from ChEMBL 36 via Core Engine