Compound Detail
CHEMBL1761516
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Basic Information
| ChEMBL ID | CHEMBL1761516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPGZIRQWJIZULD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
2.57
ALogP
3
HBA
3
HBD
98.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 8.1 | 8.1 | 7.9 | 2 |
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 | = | 7.943 | nM | 8.1 | Inhibition of IKK-beta | 21429745 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 7.943 | nM | 8.1 | Inhibition of human IKKbeta using GST-IkappaBalpha as substrate | 23501112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21429745 | 10.1016/j.bmcl.2011.02.107 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 23501112 | 10.1016/j.ejmech.2013.01.045 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
Data from ChEMBL 36 via Core Engine