Compound Detail
CHEMBL1923548
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
CCCCCCCCCCCCCCCC(=O)O[C@H](CO)CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1923548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKWASELTCRREJK-FSSWDIPSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
520.7
MW (Da)
2.99
ALogP
8
HBA
5
HBD
159.2
PSA (Ų)
0.10
QED
1
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 2 CHEMBL4163 | EC50 | 8.73 | 8.73 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 2 | EC50 | = | 1.86 | nM | 8.73 | Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB i... | 22007676 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22007676 | 10.1021/jm201071e | Toll-like receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine