Compound Detail
CHEMBL45261
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Basic Information
| ChEMBL ID | CHEMBL45261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJAKTQAHKIJTKU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
2.81
ALogP
8
HBA
1
HBD
101.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Transcription factor AP1 CHEMBL2111421 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.52 | 299.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor AP1 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of AP-1 (activator protein-1) mediated transcriptional activation in ... | 10937715 |
| Nuclear factor NF-kappa-B complex | IC50 | = | 300.0 | nM | 6.52 | Inhibition of NF-kB mediated transcriptional activation in Jurkat T-cells | 10937715 |
| Unchecked | IC50 | = | 299.92 | nM | 6.52 | Inhibition of AP-1/NF-kappaB transfected in human jurkat T cells assessed as inh... | 19128859 |
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 |
Data from ChEMBL 36 via Core Engine