Compound Detail
CHEMBL174140
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Basic Information
| ChEMBL ID | CHEMBL174140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIUWLYVYJPBLIA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
3.79
ALogP
6
HBA
3
HBD
115.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 5.75 | 5.745 | 1800.0 | 2 |
| A549 CHEMBL392 | IC50 | 4.82 | 4.82 | 15000.0 | 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 | = | 1800.0 | nM | 5.75 | In vitro inhibitory concentration required against recombinant human IkB kinase ... | 12617920 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 1819.7 | nM | 5.74 | Inhibition of human IKKbeta using GST-IkappaBalpha as substrate | 23501112 |
| A549 | IC50 | = | 15000.0 | nM | 4.82 | In vitro concentration required to inhibit the TNF-alpha-induced RANTES producti... | 12617920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12617920 | 10.1016/s0960-894x(02)01046-6 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 12617920 | 10.1016/s0960-894x(02)01046-6 | A549 | 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