Compound Detail
CHEMBL430646
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Basic Information
| ChEMBL ID | CHEMBL430646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBECBXOYNPIJMY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
408.3
MW (Da)
1.97
ALogP
7
HBA
0
HBD
92.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 6.46 | 6.405 | 350.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 350.0 | nM | 6.46 | Inhibition of AP-1 and NF-kB-mediated transcriptional activation in Jurkat cells | 12182863 |
| Jurkat | IC50 | = | 450.0 | nM | 6.35 | Inhibition of AP-1 and NF-kB-mediated transcriptional activation in Jurkat cells | 12182863 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12182863 | 10.1016/s0960-894x(02)00517-6 | Jurkat | 2 |
Data from ChEMBL 36 via Core Engine