Compound Detail
CHEMBL132495
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Basic Information
| ChEMBL ID | CHEMBL132495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VORNGVYSIPQDMN-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
383.7
MW (Da)
4.73
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
EC50 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription factor Jun CHEMBL4977 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | IC50 | 7.3 | 7.3 | 50.0 | 2 |
| Exportin-1 CHEMBL5661 | EC50 | 5.39 | 5.39 | 4090.0 | 1 |
| Jurkat CHEMBL397 | EC50 | 4.82 | 4.82 | 15038.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor Jun | IC50 | = | 20.0 | nM | 7.7 | Concentration required to inhibit activator protein-1(AP-1) mediated transcripti... | 11052805 |
| Transcription factor Jun | IC50 | = | 20.0 | nM | 7.7 | Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by ... | 24831826 |
| Nuclear factor NF-kappa-B complex | IC50 | = | 50.0 | nM | 7.3 | Concentration required to inhibit nuclear factor-kappa B) mediated transcription... | 11052805 |
| Nuclear factor NF-kappa-B complex | IC50 | = | 50.0 | nM | 7.3 | Inhibition of NF-kappaB-mediated transcriptional activation in human Jurkat cell... | 24831826 |
| Exportin-1 | EC50 | = | 4090.0 | nM | 5.39 | Inhibition of XPO1 in human Jurkat cells assessed as suppression of IL-2 express... | 39005064 |
| Jurkat | EC50 | = | 15038.0 | nM | 4.82 | Cytotoxicity against human Jurkat cells incubated for 24 hrs by celltiter glo as... | 39005064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11052805 | 10.1021/jm0001626 | Transcription factor Jun | 1 |
| 11052805 | 10.1021/jm0001626 | Nuclear factor NF-kappa-B complex | 1 |
| 11052805 | 10.1021/jm0001626 | Homo sapiens | 1 |
| 24831826 | 10.1021/jm5004733 | Nuclear factor NF-kappa-B complex | 1 |
| 24831826 | 10.1021/jm5004733 | Transcription factor Jun | 1 |
| 39005064 | 10.1021/acs.jmedchem.4c00754 | Exportin-1 | 1 |
| 39005064 | 10.1021/acs.jmedchem.4c00754 | Jurkat | 1 |
| 39005064 | 10.1021/acs.jmedchem.4c00754 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine