Compound Detail
CHEMBL3341912
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3341912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTURLWVYGOCZPN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
331.7
MW (Da)
3.87
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription factor Jun CHEMBL4977 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor Jun | IC50 | = | 100.0 | nM | 7.0 | Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by ... | 24831826 |
| Nuclear factor NF-kappa-B complex | IC50 | = | 200.0 | nM | 6.7 | Inhibition of NF-kappaB-mediated transcriptional activation in human Jurkat cell... | 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