Compound Detail
CHEMBL1923549
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
Basic Information
| ChEMBL ID | CHEMBL1923549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMGGLTFFCBNDCS-VXKWHMMOSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
504.7
MW (Da)
3.72
ALogP
8
HBA
3
HBD
128.0
PSA (Ų)
0.14
QED
1
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 2 CHEMBL4163 | EC50 | 8.44 | 8.395 | 3.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 2 | EC50 | = | 3.63 | nM | 8.44 | Agonist activity at human TLR2 expressed in HEK293 cells assessed as NFkappaB tr... | 22385476 |
| Toll-like receptor 2 | EC50 | = | 4.44 | nM | 8.35 | 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 | Molecular identity unknown | 2 |
| 22385476 | 10.1021/jm3000533 | Toll-like receptor 2 | 2 |
| 22007676 | 10.1021/jm201071e | Toll-like receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine