Compound Detail
CHEMBL375787
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Basic Information
| ChEMBL ID | CHEMBL375787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNDWQKOLRNGWRH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
3.53
ALogP
8
HBA
0
HBD
78.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit epsilon CHEMBL3529 | IC50 | 6.1 | 6.1 | 794.3 | 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 epsilon | IC50 | = | 794.33 | nM | 6.1 | Inhibition of human recombinant IKKepsilon by TR-FRET assay | 16997559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16997559 | 10.1016/j.bmcl.2006.09.018 | Inhibitor of nuclear factor kappa-B kinase subunit epsilon | 1 |
| 16997559 | 10.1016/j.bmcl.2006.09.018 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 16997559 | 10.1016/j.bmcl.2006.09.018 | Serine/threonine-protein kinase PLK1 | 1 |
Data from ChEMBL 36 via Core Engine