Compound Detail
CHEMBL218434
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Basic Information
| ChEMBL ID | CHEMBL218434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMUNUYACTDOTAO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
434.7
MW (Da)
3.53
ALogP
5
HBA
4
HBD
96.2
PSA (Ų)
0.17
QED
0
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription factor p65 CHEMBL5533 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| J774.1 CHEMBL4296442 | IC50 | 5.87 | 5.87 | 1340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor p65 | IC50 | = | 340.0 | nM | 6.47 | Inhibition of NF-kappaB in human HEK293 cells | 17010608 |
| HEK293 | IC50 | = | 410.0 | nM | 6.39 | Inhibition of LPS-induced NF-kappaB production in HEK293 cells | 17256835 |
| J774.1 | IC50 | = | 1340.0 | nM | 5.87 | Inhibition of LPS-induced nitric oxide production in murine J774.1 cells by auto... | 17256835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17010608 | 10.1016/j.bmcl.2006.09.026 | Transcription factor p65 | 1 |
| 17010608 | 10.1016/j.bmcl.2006.09.026 | Unchecked | 1 |
| 17256835 | 10.1021/jm061198m | HEK293 | 1 |
| 17256835 | 10.1021/jm061198m | J774.1 | 1 |
| 17256835 | 10.1021/jm061198m | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine