Compound Detail
CHEMBL543846
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Basic Information
| ChEMBL ID | CHEMBL543846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCHXJFJNDJXENQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL102970 |
| Active Moiety | CHEMBL102970 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
167.2
MW (Da)
0.40
ALogP
4
HBA
2
HBD
70.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription intermediary factor 1-alpha CHEMBL3108638 | IC50 | 6.65 | 6.65 | 225.2 | 1 |
| E3 ubiquitin-protein ligase TRIM33 CHEMBL2176772 | IC50 | 6.55 | 6.55 | 283.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription intermediary factor 1-alpha | IC50 | = | 225.2 | nM | 6.65 | Inhibition of recombinant TRIM24 (unknown origin) using biotinylated H3 peptide ... | - |
| E3 ubiquitin-protein ligase TRIM33 | IC50 | = | 283.4 | nM | 6.55 | Inhibition of recombinant TRIM33 PHD bromodomain (unknown origin) using biotinyl... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.1016/0960-894X(96)00452-0 | Multifunctional protein CAD | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine