Compound Detail
CHEMBL4572394
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 | CHEMBL4572394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DATXHLPRESKQJK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
175.2
MW (Da)
2.10
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription intermediary factor 1-alpha CHEMBL3108638 | IC50 | 6.88 | 6.88 | 133.4 | 1 |
| E3 ubiquitin-protein ligase TRIM33 CHEMBL2176772 | IC50 | 6.57 | 6.57 | 268.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription intermediary factor 1-alpha | IC50 | = | 133.4 | nM | 6.88 | Inhibition of recombinant TRIM24 (unknown origin) using biotinylated H3 peptide ... | - |
| E3 ubiquitin-protein ligase TRIM33 | IC50 | = | 268.9 | nM | 6.57 | Inhibition of recombinant TRIM33 PHD bromodomain (unknown origin) using biotinyl... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35212533 | 10.1021/acs.jmedchem.1c01367 | Aldehyde dehydrogenase 1A1 | 1 |
Data from ChEMBL 36 via Core Engine