Compound Detail
CHEMBL4063725
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Basic Information
| ChEMBL ID | CHEMBL4063725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBXJVISQYZQJLT-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
304.7
MW (Da)
3.16
ALogP
4
HBA
3
HBD
103.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.35
Kd 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BCoR-BCL6 CHEMBL4106125 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| B-cell lymphoma 6 protein CHEMBL4105786 | Kd | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BCoR-BCL6 | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of C-terminal biotin-labelled BCoR/wild-type BCL6 BTB domain (unknown... | 28760529 |
| B-cell lymphoma 6 protein | Kd | = | 5000.0 | nM | 5.3 | Binding affinity to wild-type avi-tagged BCL6 BTB domain (unknown origin) by SPR... | 28760529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28760529 | 10.1016/j.bmc.2017.07.037 | BCoR-BCL6 | 1 |
| 28760529 | 10.1016/j.bmc.2017.07.037 | B-cell lymphoma 6 protein | 1 |
Data from ChEMBL 36 via Core Engine