Compound Detail
CHEMBL340779
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Basic Information
| ChEMBL ID | CHEMBL340779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHEXXENPPWDAHU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
404.1
MW (Da)
5.07
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription factor Jun CHEMBL4977 | IC50 | 6.7 | 6.7 | 200.0 | 2 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | IC50 | 6.22 | 6.22 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor Jun | IC50 | = | 200.0 | nM | 6.7 | Concentration required to inhibit activator protein-1(AP-1) mediated transcripti... | 11052805 |
| Transcription factor Jun | IC50 | = | 200.0 | nM | 6.7 | Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by ... | 24831826 |
| Nuclear factor NF-kappa-B complex | IC50 | = | 600.0 | nM | 6.22 | Concentration required to inhibit nuclear factor-kappa B) mediated transcription... | 11052805 |
| Nuclear factor NF-kappa-B complex | IC50 | = | 600.0 | nM | 6.22 | Inhibition of NF-kappaB-mediated transcriptional activation in human Jurkat cell... | 24831826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11052805 | 10.1021/jm0001626 | Transcription factor Jun | 1 |
| 11052805 | 10.1021/jm0001626 | Nuclear factor NF-kappa-B complex | 1 |
| 11052805 | 10.1021/jm0001626 | Homo sapiens | 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