Compound Detail
CHEMBL132416
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Basic Information
| ChEMBL ID | CHEMBL132416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWTAXHMFNPDIGT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
2.35
ALogP
7
HBA
2
HBD
111.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 7.36 | 7.36 | 43.6 | 3 |
| Inhibitor of nuclear factor kappa-B kinase subunit alpha CHEMBL3476 | IC50 | 5.42 | 5.42 | 3802.0 | 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 beta | IC50 | = | 44.0 | nM | 7.36 | Inhibitory activity against IKK2 | 14698170 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 44.0 | nM | 7.36 | Inhibition of IKK-beta expressed in Escherichia coli or baculovirus-infected ins... | 21699136 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 43.65 | nM | 7.36 | Inhibition of human IKKbeta using GST-IkappaBalpha as substrate | 23501112 |
| Inhibitor of nuclear factor kappa-B kinase subunit alpha | IC50 | = | 3802.0 | nM | 5.42 | Inhibitory activity against IKK1 | 14698170 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14698170 | 10.1016/j.bmcl.2003.10.047 | No relevant target | 2 |
| 14698170 | 10.1016/j.bmcl.2003.10.047 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 14698170 | 10.1016/j.bmcl.2003.10.047 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 1 |
| 14698170 | 10.1016/j.bmcl.2003.10.047 | Unchecked | 1 |
| 21699136 | 10.1021/jm200349b | Inhibitor of nuclear factor kappa-B kinase subunit beta | 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