Compound Detail
CHEMBL206961
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Basic Information
| ChEMBL ID | CHEMBL206961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQSCWUIEJRBEFH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
0.78
ALogP
5
HBA
3
HBD
102.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 4.9 | 4.885 | 12700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 12700.0 | nM | 4.9 | Inhibition of IKK beta | 16686533 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 13500.0 | nM | 4.87 | Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillat... | 19716697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16686533 | 10.1021/jm0510979 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 19716697 | 10.1016/j.bmcl.2009.08.054 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
Data from ChEMBL 36 via Core Engine