Compound Detail
CHEMBL492332
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Basic Information
| ChEMBL ID | CHEMBL492332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTQXNVIFXROTCU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
2.61
ALogP
7
HBA
1
HBD
58.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
| Inhibitor of nuclear factor kappa-B kinase subunit alpha CHEMBL3476 | IC50 | 5.21 | 5.21 | 6100.0 | 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 | = | 210.0 | nM | 6.68 | Inhibition of IKK2-mediated phosphorylation of GST-IkappaBalpha fusion protein a... | 19267461 |
| PBMC | IC50 | = | 660.0 | nM | 6.18 | Inhibition of LPS-induced TNFalpha production in human PBMC preincubated for 30 ... | 19267461 |
| Inhibitor of nuclear factor kappa-B kinase subunit alpha | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of IKK1-mediated phosphorylation of GST-IkappaBalpha fusion protein a... | 19267461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19267461 | 10.1021/jm8015816 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 1 |
| 19267461 | 10.1021/jm8015816 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 19267461 | 10.1021/jm8015816 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine