Compound Detail
CHEMBL335904
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Basic Information
| ChEMBL ID | CHEMBL335904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSAGYYKLKUTZGF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
426.4
MW (Da)
3.03
ALogP
9
HBA
1
HBD
102.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.4 | 7.4 | 40.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 40.0 | nM | 7.4 | Inhibition of AP-1 and NF-kB mediated transcriptional activation in Jurkat T-cel... | 14592511 |
| Unchecked | IC50 | = | 39.99 | nM | 7.4 | Inhibition of AP-1/NF-kappaB transfected in human jurkat T cells assessed as inh... | 19128859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14592511 | 10.1016/j.bmcl.2003.08.047 | Unchecked | 1 |
| 19128859 | 10.1016/j.ejmech.2008.12.006 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine