Compound Detail
CHEMBL88100
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Basic Information
| ChEMBL ID | CHEMBL88100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKJIHNJOCMAPPE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
314.2
MW (Da)
1.34
ALogP
6
HBA
1
HBD
92.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Transcription factor Jun CHEMBL4977 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of AP-1 and NF-kB-mediated transcriptional activation in Jurkat cells | 12182863 |
| Nuclear factor NF-kappa-B complex | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of NF-kappaB-mediated transcriptional activation in human Jurkat cell... | 24831826 |
| Transcription factor Jun | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by ... | 24831826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12182863 | 10.1016/s0960-894x(02)00517-6 | Jurkat | 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