Compound Detail
CHEMBL514334
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Basic Information
| ChEMBL ID | CHEMBL514334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVWRHOMYGXCWHT-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
3.33
ALogP
5
HBA
3
HBD
111.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 7.16 | 7.16 | 70.0 | 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 | = | 70.0 | nM | 7.16 | Inhibition of IKK-beta by TR-FRET assay | 19285872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19285872 | 10.1016/j.bmc.2009.02.041 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
Data from ChEMBL 36 via Core Engine