Compound Detail
CHEMBL2431085
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Basic Information
| ChEMBL ID | CHEMBL2431085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPAWGWFSHZEMEO-LBPRGKRZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.85
ALogP
5
HBA
1
HBD
81.5
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 6.52 | 6.17 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H... | 24900758 |
| Bromodomain-containing protein 4 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression a... | 24900758 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900758 | 10.1021/ml4001485 | Bromodomain-containing protein 4 | 2 |
Data from ChEMBL 36 via Core Engine