Compound Detail
CHEMBL4076344
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Basic Information
| ChEMBL ID | CHEMBL4076344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYVGIYUMYNDTLT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
403.8
MW (Da)
4.04
ALogP
6
HBA
2
HBD
102.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B-cell lymphoma 6 protein CHEMBL4105786 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| BCoR-BCL6 CHEMBL4106125 | IC50 | 6.89 | 6.405 | 130.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BCoR-BCL6 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of C-terminal biotin-labelled BCoR/wild-type BCL6 BTB domain (unknown... | 28760529 |
| B-cell lymphoma 6 protein | IC50 | = | 130.0 | nM | 6.89 | Inhibition of human BCL6 BTP domain by ELISA assay | 33844535 |
| BCoR-BCL6 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of recombinant human BCoR (112 to 753 residues) protein interaction w... | 28760529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28760529 | 10.1016/j.bmc.2017.07.037 | BCoR-BCL6 | 2 |
| 28760529 | 10.1016/j.bmc.2017.07.037 | No relevant target | 2 |
| 28760529 | 10.1016/j.bmc.2017.07.037 | HepG2 | 1 |
| 33844535 | 10.1021/acs.jmedchem.0c01686 | B-cell lymphoma 6 protein | 1 |
| 33844535 | 10.1021/acs.jmedchem.0c01686 | No relevant target | 1 |
| 33844535 | 10.1021/acs.jmedchem.0c01686 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine