Compound Detail
CHEMBL4075278
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Basic Information
| ChEMBL ID | CHEMBL4075278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRELDGDKULRRDM-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
6
PK Parameters
20
Publications
0
Known Names
Molecular Properties
417.9
MW (Da)
4.43
ALogP
6
HBA
2
HBD
102.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B-cell lymphoma 6 protein CHEMBL4105786 | IC50 | 7.0 | 6.656 | 100.0 | 5 |
| BCoR-BCL6 CHEMBL4106125 | IC50 | 7.0 | 6.57 | 100.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1270.0 | ng.hr.mL-1 | Mus musculus |
| CL | 10.5 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 557.62 | nM | Mus musculus |
| F | 79.9 | % | Mus musculus |
| MRT | 3.3 | hr | Mus musculus |
| Tmax | 2.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BCoR-BCL6 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of C-terminal biotin-labelled BCoR/wild-type BCL6 BTB domain (unknown... | 28760529 |
| B-cell lymphoma 6 protein | IC50 | = | 100.0 | nM | 7.0 | Cell-free enzyme-linked immunosorbent assay (ELISA) | - |
| B-cell lymphoma 6 protein | IC50 | = | 100.0 | nM | 7.0 | Affinity Biochemical interaction (Cell-free enzyme-linked immunosorbent assay (E... | - |
| B-cell lymphoma 6 protein | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human BCL6 BTP domain by ELISA assay | 33844535 |
| BCoR-BCL6 | IC50 | = | 720.0 | nM | 6.14 | Inhibition of recombinant human BCoR (112 to 753 residues) protein interaction w... | 28760529 |
| B-cell lymphoma 6 protein | IC50 | = | 720.0 | nM | 6.14 | Cell-based mammalian two-hybrid (M2H) assay | - |
| B-cell lymphoma 6 protein | IC50 | = | 720.0 | nM | 6.14 | Affinity Phenotypic Cellular interaction (Inhibition of BCL6 co-repressor (BCoR,... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4507304 | Tyrosine-protein kinase ABL1 | 15 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507304 | Epidermal growth factor receptor | 12 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507304 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| - | 10.6019/CHEMBL4507304 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| - | 10.6019/CHEMBL4507304 | Mast/stem cell growth factor receptor Kit | 9 |
| - | 10.6019/CHEMBL4689842 | U2OS | 9 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 9 |
| - | 10.6019/CHEMBL4507304 | Unchecked | 8 |
| 28760529 | 10.1016/j.bmc.2017.07.037 | Mus musculus | 7 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 5 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL4507304 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
| - | 10.6019/CHEMBL4507304 | Hepatocyte growth factor receptor | 3 |
| - | 10.6019/CHEMBL4507304 | ALK tyrosine kinase receptor | 3 |
| - | 10.6019/CHEMBL4507304 | Leucine-rich repeat serine/threonine-protein kinase 2 | 2 |
| - | 10.6019/CHEMBL4507304 | B-cell lymphoma 6 protein | 2 |
| 28760529 | 10.1016/j.bmc.2017.07.037 | BCoR-BCL6 | 2 |
Data from ChEMBL 36 via Core Engine