Compound Detail
CHEMBL516203
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Basic Information
| ChEMBL ID | CHEMBL516203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGJVFGZEWDGDOO-CQSZACIVSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
3.77
ALogP
6
HBA
3
HBD
92.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.7 | 7.785 | 2.0 | 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 | Ki | = | 2.0 | nM | 8.7 | Inhibition of IKK-beta by TR-FRET assay | 19285872 |
| Unchecked | Ki | = | 2.0 | nM | 8.7 | Inhibition of human recombinant IKKbeta | 33481605 |
| Unchecked | Ki | = | 135.0 | nM | 6.87 | Inhibition of human recombinant IKKalpha | 33481605 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | HEK-293T | 8 |
| - | 10.6019/CHEMBL5303304 | U2OS | 6 |
| 33481605 | 10.1021/acs.jmedchem.0c01511 | Unchecked | 2 |
| 19285872 | 10.1016/j.bmc.2009.02.041 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 1 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5308504 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5308504 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine