Compound Detail
CHEMBL4581678
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Basic Information
| ChEMBL ID | CHEMBL4581678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPHILACXNMTZEE-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
2.19
ALogP
5
HBA
1
HBD
61.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 1/2 CHEMBL3885643 | EC50 | 6.26 | 6.26 | 550.0 | 1 |
| Toll-like receptor 2 CHEMBL4163 | EC50 | 6.26 | 6.2567 | 550.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 2 | EC50 | = | 550.0 | nM | 6.26 | Agonist activity at TLR2 in HEK-Blue hTLR2 cells assessed as NF-kappaB activatio... | 32845153 |
| Toll-like receptor 2 | EC50 | = | 550.0 | nM | 6.26 | Agonist activity at TLR2 in HEK-Blue hTLR2 cells | 33346636 |
| Toll-like receptor 1/2 | EC50 | = | 550.0 | nM | 6.26 | Agonist activity at TLR1/TLR2 in human THP-1 cells | 37163340 |
| Toll-like receptor 2 | EC50 | = | 560.0 | nM | 6.25 | Agonist activity at human TLR2 expressed in HEK-Blue cells assessed as activatio... | 30852386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30852386 | 10.1016/j.ejmech.2019.02.067 | Toll-like receptor 2 | 1 |
| 32845153 | 10.1021/acs.jmedchem.0c01049 | Toll-like receptor 2 | 1 |
| 33346636 | 10.1021/acs.jmedchem.0c01627 | Toll-like receptor 2 | 1 |
| 37163340 | 10.1021/acs.jmedchem.2c01655 | Toll-like receptor 1/2 | 1 |
Data from ChEMBL 36 via Core Engine