Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5433813

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)NCCO[C@@H]1O[C@H](CO)[C@@H](COP(=O)(O)O)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC.CCN(CC)CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5433813
Phase Preclinical
Structure Type MOL
InChI Key AYCJYBYINXZVEF-IQZNFALRSA-N
Parent Compound CHEMBL5499931
Active Moiety CHEMBL5499931
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

1457.1
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C87H169N4O16P
MW 1558.30

Activity Summary

EC50 8 meas. best 10.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Toll-like receptor 4
CHEMBL1795167
 EC50 10.05 9.675 0.1 2
Toll-like receptor 4
CHEMBL5255
 EC50 8.91 8.2817 1.2 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Toll-like receptor 4 EC50 = 0.09 nM 10.05 Agonist activity at TLR4 in mouse RAW264.7 cells assessed as induction of MIP-1b... 37847244
Toll-like receptor 4 EC50 = 0.5 nM 9.3 Agonist activity at mouse TLR4 in human HEK-Blue mTLR4 cells assessed as NF-kapp... 37847244
Toll-like receptor 4 EC50 = 1.23 nM 8.91 Agonist activity at TLR4 in human PBMC cells assessed as induction of MIP-1beta ... 37847244
Toll-like receptor 4 EC50 = 1.49 nM 8.83 Agonist activity at TLR4 in human MONO-MAC-6 cells assessed as induction of MIP-... 37847244
Toll-like receptor 4 EC50 = 1.78 nM 8.75 Agonist activity at TLR4 in human PBMC cells assessed as induction of RANTES rel... 37847244
Toll-like receptor 4 EC50 = 2.69 nM 8.57 Agonist activity at TLR4 in human PBMC cells assessed as induction of IL-1beta r... 37847244
Toll-like receptor 4 EC50 = 34.58 nM 7.46 Agonist activity at TLR4 in human PBMC cells assessed as induction of TNFalpha r... 37847244
Toll-like receptor 4 EC50 = 68.2 nM 7.17 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 No relevant target 3
37847244 10.1021/acs.jmedchem.3c00724 Nuclear factor NF-kappa-B complex 1

Data from ChEMBL 36 via Core Engine