Compound Detail
CHEMBL80619
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Basic Information
| ChEMBL ID | CHEMBL80619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIKFIPOMXWTXJJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
198.2
MW (Da)
2.72
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit alpha CHEMBL3476 | IC50 | 5.4 | 5.4 | 4000.0 | 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 | = | 4000.0 | nM | 5.4 | Inhibitory activity against IkappaB kinase(IKK) isolated from HeLa cells activat... | 12824047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30097370 | 10.1016/j.bmcl.2018.06.001 | Staphylococcus aureus | 2 |
| 12824047 | 10.1016/s0960-894x(03)00408-6 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 1 |
| 12824047 | 10.1016/s0960-894x(03)00408-6 | Casein kinase II | 1 |
| 12824047 | 10.1016/s0960-894x(03)00408-6 | cAMP-dependent protein kinase (PKA) | 1 |
| 12824047 | 10.1016/s0960-894x(03)00408-6 | Protein kinase C (PKC) | 1 |
| 16945529 | 10.1016/j.bmcl.2006.08.067 | Cholinesterase | 1 |
| 16945529 | 10.1016/j.bmcl.2006.08.067 | Acetylcholinesterase | 1 |
| 30097370 | 10.1016/j.bmcl.2018.06.001 | Bacillus cereus | 1 |
| 30097370 | 10.1016/j.bmcl.2018.06.001 | Bacillus subtilis | 1 |
| 30097370 | 10.1016/j.bmcl.2018.06.001 | Ralstonia solanacearum | 1 |
Data from ChEMBL 36 via Core Engine