Compound Detail
CHEMBL397009
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 | CHEMBL397009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMGRMDGUJMSYTC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
1.74
ALogP
5
HBA
3
HBD
142.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit alpha CHEMBL3476 | IC50 | 7.1 | 7.1 | 79.4 | 1 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 6.6 | 6.6 | 251.2 | 1 |
| Inhibitor of nuclear factor kappa-B kinase subunit epsilon CHEMBL3529 | IC50 | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit alpha | IC50 | = | 79.43 | nM | 7.1 | Inhibition of human recombinant GST-IKKalpha by TR-FRET assay | 17502144 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 251.19 | nM | 6.6 | Inhibition of human recombinant GST-IKKbeta by TR-FRET assay | 17502144 |
| Inhibitor of nuclear factor kappa-B kinase subunit epsilon | IC50 | = | 1584.89 | nM | 5.8 | Inhibition of human recombinant FLAG-IKKepsilon by TR-FRET assay | 17502144 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17502144 | 10.1016/j.bmcl.2007.04.088 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 1 |
| 17502144 | 10.1016/j.bmcl.2007.04.088 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 17502144 | 10.1016/j.bmcl.2007.04.088 | Inhibitor of nuclear factor kappa-B kinase subunit epsilon | 1 |
Data from ChEMBL 36 via Core Engine