Compound Detail
CHEMBL3775640
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
Cc1nc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCc4ccccc4)c2)n(C)c(=O)n3C)cn1C
Basic Information
| ChEMBL ID | CHEMBL3775640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADCUUXTZXWDEEX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
4.09
ALogP
9
HBA
1
HBD
109.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.31
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription intermediary factor 1-alpha CHEMBL3108638 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Transcription intermediary factor 1-alpha CHEMBL3108638 | EC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription intermediary factor 1-alpha | IC50 | = | 270.0 | nM | 6.57 | Inhibition of recombinant human His-tagged TRIM24-PHD/bromodomain expressed in E... | 26061247 |
| Transcription intermediary factor 1-alpha | EC50 | = | 4900.0 | nM | 5.31 | 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 |
Data from ChEMBL 36 via Core Engine