Compound Detail
CHEMBL3775853
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CCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)n(C)c(=O)n3C)c1
Basic Information
| ChEMBL ID | CHEMBL3775853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYNNLYLIKZTWRT-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
527.6
MW (Da)
4.28
ALogP
9
HBA
1
HBD
110.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.37
EC50 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription intermediary factor 1-alpha CHEMBL3108638 | IC50 | 7.37 | 7.015 | 43.0 | 2 |
| von Hippel-Lindau disease tumor suppressor/TRIM24 CHEMBL5291690 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Transcription intermediary factor 1-alpha CHEMBL3108638 | EC50 | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription intermediary factor 1-alpha | IC50 | = | 43.0 | nM | 7.37 | Inhibition of recombinant human His-tagged TRIM24-PHD/bromodomain expressed in E... | 26061247 |
| von Hippel-Lindau disease tumor suppressor/TRIM24 | IC50 | = | 43.0 | nM | 7.37 | PROTAC activity at TRIM24/VHL (unknown origin) assessed as degradation protein | 32871345 |
| Transcription intermediary factor 1-alpha | IC50 | = | 217.8 | nM | 6.66 | Inhibition of His-tagged TRIM24 (unknown origin) expressed in Escherichia coli B... | 35763424 |
| Transcription intermediary factor 1-alpha | EC50 | = | 830.0 | nM | 6.08 | Inhibition of Flag-tagged TRIM24-PHD/bromodomain (unknown origin) expressed in h... | 26061247 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26061247 | 10.1021/acs.jmedchem.5b00405 | Transcription intermediary factor 1-alpha | 2 |
| 26061247 | 10.1021/acs.jmedchem.5b00405 | No relevant target | 1 |
| 35763424 | 10.1021/acs.jmedchem.2c00728 | Transcription intermediary factor 1-alpha | 1 |
| 32871345 | 10.1016/j.ejmech.2020.112750 | von Hippel-Lindau disease tumor suppressor/TRIM24 | 1 |
Data from ChEMBL 36 via Core Engine