Compound Detail
CHEMBL4460783
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 | CHEMBL4460783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPSRAFOXVSNAJA-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
2.88
ALogP
3
HBA
1
HBD
58.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chromatin remodeling regulator CECR2 CHEMBL3108639 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Bromodomain-containing protein 9 CHEMBL3108640 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Transcription initiation factor TFIID subunit 1 CHEMBL3217390 | IC50 | 6.41 | 6.26 | 390.0 | 2 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.82 | 5.51 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chromatin remodeling regulator CECR2 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of recombinant His-tagged CECR2 (unknown origin) using biotinylated l... | 27219867 |
| Bromodomain-containing protein 9 | IC50 | = | 290.0 | nM | 6.54 | Displacement of biotinylated JQ1 analog from recombinant His-tagged BRD9 (unknow... | 27219867 |
| Transcription initiation factor TFIID subunit 1 | IC50 | = | 390.0 | nM | 6.41 | IC50 Measurements for Inhibitors Using CECR2 TR-FRET Binding Assay: His/Flag epi... | - |
| Transcription initiation factor TFIID subunit 1 | IC50 | = | 770.0 | nM | 6.11 | Inhibition of recombinant His-tagged TAF1 isoform-2 (unknown origin) using bioti... | 27219867 |
| Bromodomain-containing protein 4 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of recombinant His-tagged BRD4 bromodomain2 (unknown origin) using bi... | 27219867 |
| Bromodomain-containing protein 4 | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of recombinant His-tagged BRD4 bromodomain1 (unknown origin) using bi... | 27219867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27219867 | 10.1021/acs.jmedchem.6b00264 | Unchecked | 6 |
| 27219867 | 10.1021/acs.jmedchem.6b00264 | Chromatin remodeling regulator CECR2 | 5 |
| 27219867 | 10.1021/acs.jmedchem.6b00264 | Transcription initiation factor TFIID subunit 1 | 2 |
| 27219867 | 10.1021/acs.jmedchem.6b00264 | Bromodomain-containing protein 4 | 2 |
| 27219867 | 10.1021/acs.jmedchem.6b00264 | Bromodomain-containing protein 9 | 1 |
| 27219867 | 10.1021/acs.jmedchem.6b00264 | Peregrin | 1 |
| 27219867 | 10.1021/acs.jmedchem.6b00264 | CREB-binding protein | 1 |
Data from ChEMBL 36 via Core Engine