Compound Detail
CHEMBL252339
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 | CHEMBL252339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFMFKHCKPGKKNV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
3.49
ALogP
6
HBA
0
HBD
67.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocyte CHEMBL614076 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocyte | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of TNFalpha expression in LPS-stimulated human monocytes treated 30 m... | 10096854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17189684 | 10.1016/j.bmcl.2006.12.029 | Human immunodeficiency virus 1 | 1 |
| 10096854 | 10.1021/np980431j | Monocyte | 1 |
Data from ChEMBL 36 via Core Engine