Compound Detail
CHEMBL4287256
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Basic Information
| ChEMBL ID | CHEMBL4287256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVMMSOTWJJNKKG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
341.2
MW (Da)
3.07
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 5.16 | 5.16 | 6930.0 | 1 |
| Inhibitor of nuclear factor kappa-B kinase subunit epsilon CHEMBL3529 | IC50 | 4.23 | 4.23 | 58500.0 | 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 | = | 6930.0 | nM | 5.16 | Inhibition of IKK-beta in human Jurkat cells assessed as reduction in TNFalpha-s... | 30108896 |
| Inhibitor of nuclear factor kappa-B kinase subunit epsilon | IC50 | = | 58500.0 | nM | 4.23 | Inhibition of human IKKepsilon using ERLLDDRHDSGLDSMKDEE as substrate after 60 m... | 30108896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108896 | 10.1039/C7MD00278E | Inhibitor of nuclear factor kappa-B kinase subunit beta | 3 |
| 30108896 | 10.1039/C7MD00278E | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 2 |
| 30108896 | 10.1039/C7MD00278E | Mitogen-activated protein kinase kinase kinase 14 | 2 |
| 30108896 | 10.1039/C7MD00278E | Inhibitor of nuclear factor kappa-B kinase subunit epsilon | 1 |
Data from ChEMBL 36 via Core Engine