Compound Detail
CHEMBL4650212
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Cc1cc(=O)n(C)c2cc(N3C(=O)CC[C@@H](NS(=O)(=O)CC(C)C)[C@@H]3c3ccc(Cl)cc3)ccc12
Basic Information
| ChEMBL ID | CHEMBL4650212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVDRREOUMKACNJ-GJZUVCINSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
516.1
MW (Da)
4.31
ALogP
5
HBA
1
HBD
88.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 9 CHEMBL3108640 | IC50 | 6.72 | 6.215 | 189.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 9 | IC50 | = | 189.0 | nM | 6.72 | Homogeneous Time Resolved Fluorescence (HTRF) assay. Domain start/stop: L14-Q143 | 25864491 |
| Bromodomain-containing protein 9 | IC50 | = | 1962.0 | nM | 5.71 | Alphascreen assay. Binding to BRD9A (domain start/stop: L14-Q143) by alphascreen... | 25864491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25864491 | 10.1002/anie.201501394 | Protein polybromo-1 | 7 |
| 25864491 | 10.1002/anie.201501394 | Bromodomain-containing protein 9 | 6 |
| 25864491 | 10.1002/anie.201501394 | Peregrin | 5 |
| 25864491 | 10.1002/anie.201501394 | Bromodomain-containing protein 4 | 4 |
| 25864491 | 10.1002/anie.201501394 | Nucleosome-remodeling factor subunit BPTF | 4 |
| 25864491 | 10.1002/anie.201501394 | Chromatin remodeling regulator CECR2 | 3 |
| 25864491 | 10.1002/anie.201501394 | PH-interacting protein | 3 |
| 25864491 | 10.1002/anie.201501394 | Transcription activator BRG1 | 3 |
| 25864491 | 10.1002/anie.201501394 | CREB-binding protein | 2 |
| 25864491 | 10.1002/anie.201501394 | Bromodomain testis-specific protein | 2 |
| 25864491 | 10.1002/anie.201501394 | Bromodomain-containing protein 7 | 2 |
| 25864491 | 10.1002/anie.201501394 | Bromodomain-containing protein 3 | 2 |
| 25864491 | 10.1002/anie.201501394 | Bromodomain-containing protein 2 | 2 |
| 25864491 | 10.1002/anie.201501394 | Transcription initiation factor TFIID subunit 1 | 2 |
| 25864491 | 10.1002/anie.201501394 | Transcription initiation factor TFIID subunit 1-like | 2 |
| 25864491 | 10.1002/anie.201501394 | Transcription intermediary factor 1-alpha | 2 |
| 25864491 | 10.1002/anie.201501394 | E3 ubiquitin-protein ligase TRIM33 | 2 |
| 25864491 | 10.1002/anie.201501394 | Bromodomain and WD repeat-containing protein 1 | 1 |
| 25864491 | 10.1002/anie.201501394 | Bromodomain adjacent to zinc finger domain protein 2A | 1 |
| 25864491 | 10.1002/anie.201501394 | Tyrosine-protein kinase BAZ1B | 1 |
Data from ChEMBL 36 via Core Engine