Compound Detail
CHEMBL3775263
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COc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCc4ccccc4)c2)n(C)c(=O)n3C)cc1OC
Basic Information
| ChEMBL ID | CHEMBL3775263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVQRUFSHJHJYMA-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
575.6
MW (Da)
5.07
ALogP
9
HBA
1
HBD
110.0
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.41
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription intermediary factor 1-alpha CHEMBL3108638 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Transcription intermediary factor 1-alpha CHEMBL3108638 | EC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription intermediary factor 1-alpha | IC50 | = | 140.0 | nM | 6.85 | Inhibition of recombinant human His-tagged TRIM24-PHD/bromodomain expressed in E... | 26061247 |
| Transcription intermediary factor 1-alpha | EC50 | = | 3900.0 | nM | 5.41 | 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 | 3 |
| 26061247 | 10.1021/acs.jmedchem.5b00405 | ADMET | 1 |
| 26061247 | 10.1021/acs.jmedchem.5b00405 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine