Compound Detail
CHEMBL131636
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Basic Information
| ChEMBL ID | CHEMBL131636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCSBZHLCTWWHTH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.8
MW (Da)
5.38
ALogP
5
HBA
1
HBD
81.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclic AMP-dependent transcription factor ATF-1 CHEMBL3255 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Nuclear factor NF-kappa-B p105 subunit CHEMBL3251 | IC50 | 6.77 | 6.77 | 170.0 | 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 | = | 120.0 | nM | 6.92 | In vitro inhibitory activity against human Jurkat T-Cells stably transfected wit... | 9484492 |
| Nuclear factor NF-kappa-B p105 subunit | IC50 | = | 170.0 | nM | 6.77 | 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