Compound Detail
CHEMBL4166455
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Basic Information
| ChEMBL ID | CHEMBL4166455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORTRBMKXQWFMTN-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.8
MW (Da)
3.55
ALogP
5
HBA
1
HBD
54.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.52 | 7.31 | 30.0 | 2 |
| Bromodomain-containing protein 3 CHEMBL1795186 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Bromodomain-containing protein 2 CHEMBL1293289 | IC50 | 7.4 | 6.69 | 40.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli ... | 29259751 |
| Bromodomain-containing protein 3 | IC50 | = | 36.0 | nM | 7.44 | Inhibition of human His-tagged Brd3 bromodomain 1 expressed in Escherichia coli ... | 29259751 |
| Bromodomain-containing protein 2 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human His-tagged Brd2 bromodomain 2 expressed in Escherichia coli ... | 29259751 |
| Bromodomain-containing protein 4 | IC50 | = | 79.0 | nM | 7.1 | Inhibition of human His-tagged Brd4 bromodomain 1 expressed in Escherichia coli ... | 29259751 |
| Bromodomain-containing protein 2 | IC50 | = | 388.0 | nM | 6.41 | Inhibition of human His-tagged Brd2 bromodomain 1 expressed in Escherichia coli ... | 29259751 |
| Bromodomain-containing protein 2 | IC50 | = | 550.0 | nM | 6.26 | Binding Assay: BRD binding and inhibition was assessed by measuring the interact... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29259751 | 10.1021/acsmedchemlett.7b00389 | Bromodomain-containing protein 2 | 2 |
| 29259751 | 10.1021/acsmedchemlett.7b00389 | Bromodomain-containing protein 4 | 2 |
| 29259751 | 10.1021/acsmedchemlett.7b00389 | Bromodomain-containing protein 3 | 1 |
Data from ChEMBL 36 via Core Engine