Compound Detail
CHEMBL5590506
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C[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3nc(Cl)c(Cl)n3CC3CCOCC3)c2o1
Basic Information
| ChEMBL ID | CHEMBL5590506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGXYNRUOVHTASG-OAHLLOKOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
572.5
MW (Da)
3.19
ALogP
9
HBA
0
HBD
102.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 6.82 | 5.94 | 150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of BRD4 BD1 (unknown origin) by TR-FRET assay | 38876176 |
| Bromodomain-containing protein 4 | IC50 | = | 8800.0 | nM | 5.06 | Inhibition of BRD4 BD2 (unknown origin) by TR-FRET assay | 38876176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38876176 | 10.1016/j.bmcl.2024.129848 | Bromodomain-containing protein 4 | 2 |
| 38876176 | 10.1016/j.bmcl.2024.129848 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine