Compound Detail
CHEMBL1642552
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Basic Information
| ChEMBL ID | CHEMBL1642552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWIZQQJUTBQAHA-NSHDSACASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
2.81
ALogP
8
HBA
3
HBD
110.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 5.31 | 5.31 | 4890.0 | 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 | = | 49.0 | nM | 7.31 | Inhibition of IKK2 | 21087862 |
| PBMC | IC50 | = | 4890.0 | nM | 5.31 | Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TN... | 21087862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21087862 | 10.1016/j.bmcl.2010.10.133 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 21087862 | 10.1016/j.bmcl.2010.10.133 | PBMC | 1 |
| 21087862 | 10.1016/j.bmcl.2010.10.133 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine