Compound Detail
CHEMBL207940
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Basic Information
| ChEMBL ID | CHEMBL207940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLDLPUIJJYDCEE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
212.2
MW (Da)
2.03
ALogP
2
HBA
2
HBD
69.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 4.84 | 4.8133 | 14500.0 | 3 |
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 | = | 14500.0 | nM | 4.84 | Inhibition of IKK beta | 16686533 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 15848.93 | nM | 4.8 | Inhibition of human recombinant GST-IKKbeta by TR-FRET assay | 17502144 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 15848.93 | nM | 4.8 | Inhibition of human IKKbeta using GST-IkappaBalpha as substrate | 23501112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16686533 | 10.1021/jm0510979 | 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 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 |
| 23501112 | 10.1016/j.ejmech.2013.01.045 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
Data from ChEMBL 36 via Core Engine