Compound Detail
CHEMBL4633500
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Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1cn(CCOCC(=O)Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)nn1)C(=O)N2C
Basic Information
| ChEMBL ID | CHEMBL4633500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSXNGBATZZFCNR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
757.8
MW (Da)
4.13
ALogP
11
HBA
2
HBD
185.1
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.85 | 7.85 | 14.2 | 1 |
| THP-1 CHEMBL614245 | IC50 | 5.74 | 5.74 | 1830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 14.2 | nM | 7.85 | Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) express... | 31813613 |
| THP-1 | IC50 | = | 1830.0 | nM | 5.74 | Antiproliferative activity against human THP1 cells assessed as reduction in cel... | 31813613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31813613 | 10.1016/j.bmc.2019.115228 | Bromodomain-containing protein 4 | 2 |
| 31813613 | 10.1016/j.bmc.2019.115228 | THP-1 | 2 |
| 31813613 | 10.1016/j.bmc.2019.115228 | HL-60 | 1 |
| 31813613 | 10.1016/j.bmc.2019.115228 | Raji | 1 |
Data from ChEMBL 36 via Core Engine