Compound Detail
CHEMBL4640734
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Basic Information
| ChEMBL ID | CHEMBL4640734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWZVWZMMSGDROT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
447.9
MW (Da)
3.64
ALogP
7
HBA
3
HBD
113.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B-cell lymphoma 6 protein CHEMBL4105786 | IC50 | 6.6 | 6.6 | 251.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B-cell lymphoma 6 protein | IC50 | = | 251.0 | nM | 6.6 | Inhibition FITC-labeled BCoR peptide binding to wild type human BCL6 BTB domain ... | 32551010 |
| B-cell lymphoma 6 protein | IC50 | = | 251.0 | nM | 6.6 | Irreversible inhibition of human BCL6 BTP domain measured by TR-FRET assay | 33844535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32551010 | 10.1021/acsmedchemlett.0c00111 | B-cell lymphoma 6 protein | 3 |
| 33844535 | 10.1021/acs.jmedchem.0c01686 | B-cell lymphoma 6 protein | 1 |
Data from ChEMBL 36 via Core Engine