Compound Detail
CHEMBL4096256
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Basic Information
| ChEMBL ID | CHEMBL4096256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPQGUMYPDJKXTB-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
3.09
ALogP
2
HBA
2
HBD
58.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.43
EC50 1 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 5.43 | 5.225 | 3730.0 | 2 |
| Bromodomain-containing protein 4 CHEMBL1163125 | EC50 | 5.15 | 5.15 | 7100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | Ki | = | 3730.0 | nM | 5.43 | TR-FRET Assay: Compound dilution series were prepared in DMSO via a 3-fold seria... | - |
| Bromodomain-containing protein 4 | EC50 | = | 7100.0 | nM | 5.15 | Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing... | 28268136 |
| Bromodomain-containing protein 4 | Ki | = | 9500.0 | nM | 5.02 | Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown orig... | 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