Compound Detail
CHEMBL5205742
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Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2cc(-c3cnc(C4CCC4)[nH]3)oc12
Basic Information
| ChEMBL ID | CHEMBL5205742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIHWPMZRWLVJKK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
541.6
MW (Da)
7.23
ALogP
6
HBA
2
HBD
93.3
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 9.28 | 8.05 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 0.52 | nM | 9.28 | Inhibition of C-terminal His6-tagged BRD4 BD2 (unknown origin) using H-YSGRGK(Ac... | 35333526 |
| Bromodomain-containing protein 4 | IC50 | = | 153.0 | nM | 6.82 | Inhibition of C-terminal His6-tagged BRD4 BD1 (unknown origin) using H-YSGRGK(Ac... | 35333526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35333526 | 10.1021/acs.jmedchem.2c00100 | Bromodomain-containing protein 4 | 4 |
| 35333526 | 10.1021/acs.jmedchem.2c00100 | Probable global transcription activator SNF2L2 | 2 |
| 35333526 | 10.1021/acs.jmedchem.2c00100 | Bromodomain-containing protein 3 | 2 |
| 35333526 | 10.1021/acs.jmedchem.2c00100 | Bromodomain-containing protein 2 | 2 |
| 35333526 | 10.1021/acs.jmedchem.2c00100 | Bromodomain testis-specific protein | 2 |
| 35333526 | 10.1021/acs.jmedchem.2c00100 | Transcription initiation factor TFIID subunit 1 | 2 |
| 35333526 | 10.1021/acs.jmedchem.2c00100 | Histone acetyltransferase p300 | 1 |
| 35333526 | 10.1021/acs.jmedchem.2c00100 | PH-interacting protein | 1 |
| 35333526 | 10.1021/acs.jmedchem.2c00100 | Transcription activator BRG1 | 1 |
| 35333526 | 10.1021/acs.jmedchem.2c00100 | Transcription intermediary factor 1-alpha | 1 |
| 35333526 | 10.1021/acs.jmedchem.2c00100 | Bromodomain-containing protein 7 | 1 |
| 35333526 | 10.1021/acs.jmedchem.2c00100 | Histone acetyltransferase KAT2B | 1 |
| 35333526 | 10.1021/acs.jmedchem.2c00100 | Chromatin remodeling regulator CECR2 | 1 |
| 35333526 | 10.1021/acs.jmedchem.2c00100 | Bromodomain-containing protein 9 | 1 |
| 35333526 | 10.1021/acs.jmedchem.2c00100 | CREB-binding protein | 1 |
| 35333526 | 10.1021/acs.jmedchem.2c00100 | Unchecked | 1 |
| 35333526 | 10.1021/acs.jmedchem.2c00100 | Bromodomain adjacent to zinc finger domain protein 2B | 1 |
| 35333526 | 10.1021/acs.jmedchem.2c00100 | Peregrin | 1 |
Data from ChEMBL 36 via Core Engine