Compound Detail
CHEMBL337665
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Basic Information
| ChEMBL ID | CHEMBL337665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAPBQFRODQBNJI-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
3.01
ALogP
7
HBA
1
HBD
84.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
EC50 2 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Transcription factor Jun CHEMBL4977 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.52 | 8.52 | 3.0 | 2 |
| Transcription factor p65 CHEMBL5533 | EC50 | 5.01 | 4.695 | 9800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.0 | nM | 8.52 | Inhibition of AP-1 and NF-kB mediated transcriptional activation in Jurkat T-cel... | 14592511 |
| Unchecked | IC50 | = | 2.999 | nM | 8.52 | Inhibition of AP-1/NF-kappaB transfected in human jurkat T cells assessed as inh... | 19128859 |
| Nuclear factor NF-kappa-B complex | IC50 | = | 3.0 | nM | 8.52 | Inhibition of NF-kappaB-mediated transcriptional activation in human Jurkat cell... | 24831826 |
| Transcription factor Jun | IC50 | = | 3.0 | nM | 8.52 | Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by ... | 24831826 |
| Transcription factor p65 | EC50 | = | 9800.0 | nM | 5.01 | Induction of NF-kappaB p65 nuclear translocation in HUVEC cells by immunostainin... | 19136257 |
| Transcription factor p65 | EC50 | = | 42000.0 | nM | 4.38 | Potentiation of TNF-alpha-induced NF-kappaB p65 nuclear translocation in HUVEC c... | 19136257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19136257 | 10.1016/j.bmcl.2008.12.086 | Transcription factor p65 | 2 |
| 14592511 | 10.1016/j.bmcl.2003.08.047 | Unchecked | 1 |
| 14592511 | 10.1016/j.bmcl.2003.08.047 | Caco-2 | 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