Compound Detail
CHEMBL131976
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Basic Information
| ChEMBL ID | CHEMBL131976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUGWBWXXEMRPRH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.7
MW (Da)
3.52
ALogP
4
HBA
2
HBD
98.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclic AMP-dependent transcription factor ATF-1 CHEMBL3255 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Nuclear factor NF-kappa-B p105 subunit CHEMBL3251 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclic AMP-dependent transcription factor ATF-1 | IC50 | = | 3000.0 | nM | 5.52 | In vitro inhibitory activity against human Jurkat T-Cells stably transfected wit... | 9484492 |
| Nuclear factor NF-kappa-B p105 subunit | IC50 | = | 5000.0 | nM | 5.3 | In vitro inhibitory activity against human Jurkat T-Cells stably transfected wit... | 9484492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9484492 | 10.1021/jm970671g | Nuclear factor NF-kappa-B p105 subunit | 1 |
| 9484492 | 10.1021/jm970671g | Cyclic AMP-dependent transcription factor ATF-1 | 1 |
Data from ChEMBL 36 via Core Engine