Compound Detail
CHEMBL3341911
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Basic Information
| ChEMBL ID | CHEMBL3341911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHIREMMMWFJXOB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
315.6
MW (Da)
3.51
ALogP
4
HBA
1
HBD
64.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Transcription factor Jun CHEMBL4977 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of NF-kappaB-mediated transcriptional activation in human Jurkat cell... | 24831826 |
| Transcription factor Jun | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by ... | 24831826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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