Compound Detail
CHEMBL5169681
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
CNCc1ccc(C(=O)Nc2nc(N3CCN(C4CCCC4)CC3)c3ncn(CCCN4CCCC4)c3n2)cc1
Basic Information
| ChEMBL ID | CHEMBL5169681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFWJHLOIRLLAAK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
545.7
MW (Da)
3.35
ALogP
9
HBA
2
HBD
94.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 9 CHEMBL5804 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 9 | IC50 | = | 5.0 | nM | 8.3 | Antagonist activity at TLR9 (unknown origin) | 33984476 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33984476 | 10.1016/j.bmcl.2021.128101 | Toll-like receptor 9 | 1 |
Data from ChEMBL 36 via Core Engine