Compound Detail
CHEMBL4166474
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Basic Information
| ChEMBL ID | CHEMBL4166474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWGCYTWMYJCZRX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
289.2
MW (Da)
2.51
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit alpha CHEMBL3476 | IC50 | 4.45 | 4.45 | 35500.0 | 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 alpha | IC50 | = | 35500.0 | nM | 4.45 | Inhibition of human IKKalpha using ERLLDDRHDSGLDSMKDEE as substrate after 60 min... | 30108896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28881288 | 10.1016/j.ejmech.2017.08.046 | Aldo-keto reductase family 1 member C3 | 3 |
| 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 epsilon | 2 |
| 30108896 | 10.1039/C7MD00278E | Mitogen-activated protein kinase kinase kinase 14 | 2 |
| 28881288 | 10.1016/j.ejmech.2017.08.046 | Aldo-keto reductase family 1 member C2 | 1 |
| 28881288 | 10.1016/j.ejmech.2017.08.046 | Unchecked | 1 |
| 30108896 | 10.1039/C7MD00278E | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine