Compound Detail
CHEMBL182012
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Basic Information
| ChEMBL ID | CHEMBL182012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDADGGBEZSMQPI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.54
ALogP
5
HBA
3
HBD
109.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| 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 | = | 730.0 | nM | 6.14 | Inhibitory activity against recombinant human I-kappa-B-kinase beta | 15225717 |
| A549 | IC50 | = | 15000.0 | nM | 4.82 | TNF-alpha-induced RANTES production in A549 cells using ELISA assay | 15225717 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15225717 | 10.1016/j.bmcl.2004.05.040 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 15225717 | 10.1016/j.bmcl.2004.05.040 | A549 | 1 |
Data from ChEMBL 36 via Core Engine