Compound Detail
CHEMBL485145
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Basic Information
| ChEMBL ID | CHEMBL485145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPDHZQKGFNEVJJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
2.91
ALogP
3
HBA
2
HBD
74.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 7.2 | 7.2 | 63.1 | 1 |
| A549 CHEMBL392 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Inhibitor of nuclear factor kappa-B kinase subunit alpha CHEMBL3476 | IC50 | 5.4 | 5.4 | 3981.1 | 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 | = | 63.1 | nM | 7.2 | Inhibition of human recombinant IKK2 | 19349179 |
| A549 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of TNF-alpha-induced NF-kappaB receptor activation in human A549 cell... | 19349179 |
| Inhibitor of nuclear factor kappa-B kinase subunit alpha | IC50 | = | 3981.07 | nM | 5.4 | Inhibition of human recombinant IKK1 | 19349179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19349179 | 10.1016/j.bmcl.2009.03.034 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 19349179 | 10.1016/j.bmcl.2009.03.034 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 1 |
| 19349179 | 10.1016/j.bmcl.2009.03.034 | A549 | 1 |
Data from ChEMBL 36 via Core Engine