Compound Detail
CHEMBL482540
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Basic Information
| ChEMBL ID | CHEMBL482540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFDSWWQGWFRMQV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
1.48
ALogP
4
HBA
3
HBD
86.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit alpha CHEMBL3476 | IC50 | 7.5 | 7.5 | 31.6 | 1 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 7.4 | 7.4 | 39.8 | 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 alpha | IC50 | = | 31.62 | nM | 7.5 | Inhibition of human recombinant IKK1 | 19349179 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 39.81 | nM | 7.4 | Inhibition of human recombinant IKK2 | 19349179 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 39.81 | nM | 7.4 | Inhibition of human IKKbeta using GST-IkappaBalpha as substrate | 23501112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19349179 | 10.1016/j.bmcl.2009.03.034 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 19349179 | 10.1016/j.bmcl.2009.03.034 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 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