Compound Detail
CHEMBL4082851
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Basic Information
| ChEMBL ID | CHEMBL4082851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQYOXBNCDYICCV-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
4.14
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.64
Ki 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
| MX1 CHEMBL613704 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | Ki | = | 1700.0 | nM | 5.77 | Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 resid... | 28949521 |
| Bromodomain-containing protein 4 | EC50 | = | 2300.0 | nM | 5.64 | Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400... | 28949521 |
| MX1 | EC50 | = | 2400.0 | nM | 5.62 | Antiproliferative activity against human MX1 cells after 72 hrs by Cell Titer Gl... | 28949521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28949521 | 10.1021/acs.jmedchem.7b00746 | Bromodomain-containing protein 4 | 2 |
| 28949521 | 10.1021/acs.jmedchem.7b00746 | MX1 | 1 |
Data from ChEMBL 36 via Core Engine