Compound Detail
CHEMBL3290621
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 | CHEMBL3290621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMBSFOUMSVMKGZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
3.94
ALogP
7
HBA
1
HBD
75.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.51 | 5.435 | 3120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 3120.0 | nM | 5.51 | Antiinflammatory activity against mouse RAW264.7 cells assessed as reduction of ... | 24813730 |
| RAW264.7 | IC50 | = | 4350.0 | nM | 5.36 | Antiinflammatory activity against mouse RAW264.7 cells assessed as reduction of ... | 24813730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24813730 | 10.1016/j.bmcl.2014.04.058 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 2 |
| 24813730 | 10.1016/j.bmcl.2014.04.058 | RAW264.7 | 2 |
Data from ChEMBL 36 via Core Engine