Compound Detail
CHEMBL4860249
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Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCCCCCCC(=O)N1CCN(c3ccc4nnc(Cl)n4n3)CC1)C(=O)N2C
Basic Information
| ChEMBL ID | CHEMBL4860249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZRJIXXLXBHAQL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
696.3
MW (Da)
6.70
ALogP
9
HBA
0
HBD
116.2
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 37.0 | nM | 7.43 | Inhibition of BRD4-BD1 (unknown origin) preincubated for 15 mins followed by sub... | 33862375 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33862375 | 10.1016/j.bmc.2021.116133 | Bromodomain-containing protein 4 | 2 |
| 33862375 | 10.1016/j.bmc.2021.116133 | MCF-10A | 1 |
| 33862375 | 10.1016/j.bmc.2021.116133 | CT26 | 1 |
| 33862375 | 10.1016/j.bmc.2021.116133 | MCF7 | 1 |
| 33862375 | 10.1016/j.bmc.2021.116133 | HepG2 | 1 |
| 33862375 | 10.1016/j.bmc.2021.116133 | HCT-116 | 1 |
| 33862375 | 10.1016/j.bmc.2021.116133 | U-266 | 1 |
Data from ChEMBL 36 via Core Engine