Compound Detail
CHEMBL4086753
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Basic Information
| ChEMBL ID | CHEMBL4086753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBFGQVREMCMKPU-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
3.83
ALogP
2
HBA
3
HBD
70.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.55
Ki 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 6.35 | 6.35 | 450.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
| MX1 CHEMBL613704 | EC50 | 5.16 | 5.16 | 6900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | Ki | = | 450.0 | nM | 6.35 | Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown orig... | 28268136 |
| Bromodomain-containing protein 4 | EC50 | = | 2800.0 | nM | 5.55 | Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing... | 28268136 |
| MX1 | EC50 | = | 6900.0 | nM | 5.16 | Antiproliferative activity against human MX1 cells incubated over 72 hrs by Cell... | 28268136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28268136 | 10.1016/j.bmcl.2017.02.057 | Bromodomain-containing protein 4 | 2 |
| 28268136 | 10.1016/j.bmcl.2017.02.057 | MX1 | 1 |
Data from ChEMBL 36 via Core Engine