Compound Detail
CHEMBL43549
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Basic Information
| ChEMBL ID | CHEMBL43549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBCXTBOXZPZBNM-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
2.02
ALogP
8
HBA
1
HBD
101.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
| Transcription factor AP1 CHEMBL2111421 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Transcription factor Jun CHEMBL4977 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor AP1 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of AP-1 (activator protein-1) mediated transcriptional activation in ... | 10937715 |
| Nuclear factor NF-kappa-B complex | IC50 | = | 20.0 | nM | 7.7 | Inhibition of NF-kB mediated transcriptional activation in Jurkat T-cells | 10937715 |
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibition of AP-1/NF-kappaB transfected in human jurkat T cells assessed as inh... | 19128859 |
| Nuclear factor NF-kappa-B complex | IC50 | = | 20.0 | nM | 7.7 | Inhibition of NF-kappaB-mediated transcriptional activation in human Jurkat cell... | 24831826 |
| Transcription factor Jun | IC50 | = | 20.0 | nM | 7.7 | Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by ... | 24831826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10937715 | 10.1016/s0960-894x(00)00312-7 | Transcription factor AP1 | 1 |
| 10937715 | 10.1016/s0960-894x(00)00312-7 | Nuclear factor NF-kappa-B complex | 1 |
| 19128859 | 10.1016/j.ejmech.2008.12.006 | Unchecked | 1 |
| 24831826 | 10.1021/jm5004733 | Nuclear factor NF-kappa-B complex | 1 |
| 24831826 | 10.1021/jm5004733 | Transcription factor Jun | 1 |
Data from ChEMBL 36 via Core Engine