Compound Detail
CHEMBL5590440
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CN1CCN(C(=O)NC2CCCCC2)CC(Cn2cc3c(=O)n(C)cc(-c4ccn(C)n4)c3n2)C1
Basic Information
| ChEMBL ID | CHEMBL5590440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYZAIZWLYSMRFI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
2.04
ALogP
8
HBA
1
HBD
93.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.7 | 6.35 | 20.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of BRD4 BD1 (unknown origin) | 38876177 |
| Bromodomain-containing protein 4 | IC50 | = | 9900.0 | nM | 5.0 | Inhibition of BRD4 BD2 (unknown origin) | 38876177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38876177 | 10.1016/j.bmcl.2024.129849 | Bromodomain-containing protein 4 | 2 |
| 38876177 | 10.1016/j.bmcl.2024.129849 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine